[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine

C201H360N18O10 — CID 159629614

IUPAC[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(NC(C)(C)C)c1ccc(N2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1
InChIInChI=1S/2C21H36N2O.C20H32N2O2.C19H33NO.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H35N3.C16H34N2O.C15H29N3O/c2*1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;7-10,18H,11-13H2,1-6H3;17H,7-14H2,1-6H3;14,17H,7-13H2,1-6H3;7,9,16H,8,10-12H2,1-6H3/t2*16?,19-;15-;;;;;;;;/m101......../s1
InChIKeyMOYIXCPPNDICRZ-MPWRTRJNSA-N
MW3189.21 g/mol
LogP44.83
Rot. Bonds60

About [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine

[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine (PubChem CID 159629614) has the molecular formula C201H360N18O10 and a molecular weight of 3189.21 g/mol. Its IUPAC name is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
PubChem CID159629614
Molecular FormulaC201H360N18O10
Molecular Weight3189.21 g/mol
Exact Mass3186.82
IUPAC Name[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(NC(C)(C)C)c1ccc(N2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1
InChIInChI=1S/2C21H36N2O.C20H32N2O2.C19H33NO.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H35N3.C16H34N2O.C15H29N3O/c2*1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;7-10,18H,11-13H2,1-6H3;17H,7-14H2,1-6H3;14,17H,7-13H2,1-6H3;7,9,16H,8,10-12H2,1-6H3/t2*16?,19-;15-;;;;;;;;/m101......../s1
InChIKeyMOYIXCPPNDICRZ-MPWRTRJNSA-N
XLogP44.83
TPSA257.70 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds60
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003189.21
LogP ≤ 544.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

(19R,25R,28S)-28-benzyl-38-[4-[[(19R,25R,28S)-13,15-difluoro-27-methyl-19-(2-methylpropyl)-17,20,26,29-tetraoxo-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11(16),12,14,33(37),34-octaen-28-yl]methyl]phenyl]-14-fluoro-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11(16),12,14,33(37),34-octaene-17,20,26,29-tetrone
CID 134353606
5-(1-Methyl-1H-pyrazol-4-yl)-4-(4-morpholinylcarbonyl)-2-[(phenylmethyl)oxy]-N-4-pyridazinylbenzamide
CID 66635618
5-(1-Methyl-1H-pyrazol-4-yl)-4-(4-morpholinylmethyl)-2-[(phenylmethyl)oxy]-N-4-pyridazinylbenzamide
CID 68060036
(19R,25R,28S)-28-[[4-[(19R,25R,28S)-28-[3-[(19R,25R,28S)-28-benzyl-27,30-dimethyl-19-(2-methylpropyl)-17,20,26-trioxo-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaen-38-yl]-2-methylpropyl]-27,30-dimethyl-19-(2-methylpropyl)-17,20,26-trioxo-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaen-38-yl]phenyl]methyl]-19,27,30-trimethyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone
CID 134353611
N-(4-benzylphenyl)-4-(1-methylpyrazol-4-yl)-2-[(3R)-1-prop-2-enoylpiperidin-3-yl]oxybenzamide
CID 155439534
CID 157185349
CID 157185349
[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
CID 157711191
CID 157960782
CID 157960782
CID 157973949
CID 157973949
CID 158216243
CID 158216243
CID 158216537
CID 158216537
CID 158672659
CID 158672659

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine (CID 159629614) is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(CCNC(C)(C)C)CC1.CC(C)(C)COCCN1CCC(NC(C)(C)C)CC1.CC(C)(C)COCCc1ccc(CNC(C)(C)C)cc1.CC(C)(C)COc1ccccc1C(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)Cc1ccc(CCCCNC(C)(C)C)cc1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cc1.CC(C)(C)Cc1cccc(COCCCNC(C)(C)C)c1.CC(C)(C)NCCOCCn1ccc(C(C)(C)C)n1.CC(NC(C)(C)C)c1ccc(N2CC[C@@H](OCC(C)(C)C)C2)cc1.CC(NC(C)(C)C)c1ccc(N2CC[C@H](OCC(C)(C)C)C2)cc1.
What is the InChIKey of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is MOYIXCPPNDICRZ-MPWRTRJNSA-N. The full InChI is InChI=1S/2C21H36N2O.C20H32N2O2.C19H33NO.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H35N3.C16H34N2O.C15H29N3O/c2*1-16(22-21(5,6)7)17-8-10-18(11-9-17)23-13-12-19(14-23)24-15-20(2,3)4;1-19(2,3)14-24-17-10-8-7-9-16(17)18(23)22-12-11-15(13-22)21-20(4,5)6;1-18(2,3)14-16-9-7-10-17(13-16)15-21-12-8-11-20-19(4,5)6;1-18(2,3)15-17-12-10-16(11-13-17)9-7-8-14-20-19(4,5)6;1-18(2,3)12-8-14-20-17-10-7-9-16(15-17)11-13-19(4,5)6;1-17(2,3)14-20-12-11-15-7-9-16(10-8-15)13-19-18(4,5)6;1-16(2,3)13-14-7-9-15(10-8-14)19-12-11-18-17(4,5)6;1-15(2,3)7-9-18-11-13-19(14-12-18)10-8-17-16(4,5)6;1-15(2,3)13-19-12-11-18-9-7-14(8-10-18)17-16(4,5)6;1-14(2,3)13-7-9-18(17-13)10-12-19-11-8-16-15(4,5)6/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;7,9-10,13,20H,8,11-12,14-15H2,1-6H3;10-13,20H,7-9,14-15H2,1-6H3;7,9-10,15H,8,11-14H2,1-6H3;7-10,19H,11-14H2,1-6H3;7-10,18H,11-13H2,1-6H3;17H,7-14H2,1-6H3;14,17H,7-13H2,1-6H3;7,9,16H,8,10-12H2,1-6H3/t2*16?,19-;15-;;;;;;;;/m101......../s1.
What are the key properties of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine?
[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 3189.21 g/mol, XLogP of 44.83, 60 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 159629614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).