N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C150H261N25 — CID 159415533

IUPACN-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(C)N1CCN(c2ccc([C@@H](C)C(C)(C)C)cn2)CC1.CC(c1ccc(NC2CCCC2)nc1)C(C)(C)C.CC(c1ccc(N[C@H]2CCN(C)C2)nc1)C(C)(C)C.CCCCNc1ccc(C(C)C(C)(C)C)cn1.CCN(CC)CCN(C)c1ccc([C@@H](C)C(C)(C)C)cn1.CCN1CCN(c2ccc(C(C)C(C)(C)C)cn2)CC1.C[C@H](c1ccc(N(C)CCCN(C)C)nc1)C(C)(C)C.C[C@H](c1ccc(N(C)CCN(C)C)nc1)C(C)(C)C.C[C@H](c1ccc(N2CC[C@@H](N(C)C)C2)nc1)C(C)(C)C
InChIInChI=1S/C18H31N3.C18H33N3.2C17H29N3.C17H31N3.C16H27N3.C16H29N3.C16H26N2.C15H26N2/c1-14(2)20-9-11-21(12-10-20)17-8-7-16(13-19-17)15(3)18(4,5)6;1-8-21(9-2)13-12-20(7)17-11-10-16(14-19-17)15(3)18(4,5)6;1-13(17(2,3)4)14-7-8-16(18-11-14)20-10-9-15(12-20)19(5)6;1-6-19-9-11-20(12-10-19)16-8-7-15(13-18-16)14(2)17(3,4)5;1-14(17(2,3)4)15-9-10-16(18-13-15)20(7)12-8-11-19(5)6;1-12(16(2,3)4)13-6-7-15(17-10-13)18-14-8-9-19(5)11-14;1-13(16(2,3)4)14-8-9-15(17-12-14)19(7)11-10-18(5)6;1-12(16(2,3)4)13-9-10-15(17-11-13)18-14-7-5-6-8-14;1-6-7-10-16-14-9-8-13(11-17-14)12(2)15(3,4)5/h7-8,13-15H,9-12H2,1-6H3;10-11,14-15H,8-9,12-13H2,1-7H3;7-8,11,13,15H,9-10,12H2,1-6H3;7-8,13-14H,6,9-12H2,1-5H3;9-10,13-14H,8,11-12H2,1-7H3;6-7,10,12,14H,8-9,11H2,1-5H3,(H,17,18);8-9,12-13H,10-11H2,1-7H3;9-12,14H,5-8H2,1-4H3,(H,17,18);8-9,11-12H,6-7,10H2,1-5H3,(H,16,17)/t2*15-;13-,15-;;14-;12?,14-;13-;;/m111.101../s1
InChIKeyLPCRDCNTENJVIU-JKWZDSMNSA-N
MW2414.91 g/mol
LogP33.74
Rot. Bonds38

About N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 159415533) has the molecular formula C150H261N25 and a molecular weight of 2414.91 g/mol. Its IUPAC name is N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID159415533
Molecular FormulaC150H261N25
Molecular Weight2414.91 g/mol
Exact Mass2413.12
IUPAC NameN-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCC(C)N1CCN(c2ccc([C@@H](C)C(C)(C)C)cn2)CC1.CC(c1ccc(NC2CCCC2)nc1)C(C)(C)C.CC(c1ccc(N[C@H]2CCN(C)C2)nc1)C(C)(C)C.CCCCNc1ccc(C(C)C(C)(C)C)cn1.CCN(CC)CCN(C)c1ccc([C@@H](C)C(C)(C)C)cn1.CCN1CCN(c2ccc(C(C)C(C)(C)C)cn2)CC1.C[C@H](c1ccc(N(C)CCCN(C)C)nc1)C(C)(C)C.C[C@H](c1ccc(N(C)CCN(C)C)nc1)C(C)(C)C.C[C@H](c1ccc(N2CC[C@@H](N(C)C)C2)nc1)C(C)(C)C
InChIInChI=1S/C18H31N3.C18H33N3.2C17H29N3.C17H31N3.C16H27N3.C16H29N3.C16H26N2.C15H26N2/c1-14(2)20-9-11-21(12-10-20)17-8-7-16(13-19-17)15(3)18(4,5)6;1-8-21(9-2)13-12-20(7)17-11-10-16(14-19-17)15(3)18(4,5)6;1-13(17(2,3)4)14-7-8-16(18-11-14)20-10-9-15(12-20)19(5)6;1-6-19-9-11-20(12-10-19)16-8-7-15(13-18-16)14(2)17(3,4)5;1-14(17(2,3)4)15-9-10-16(18-13-15)20(7)12-8-11-19(5)6;1-12(16(2,3)4)13-6-7-15(17-10-13)18-14-8-9-19(5)11-14;1-13(16(2,3)4)14-8-9-15(17-12-14)19(7)11-10-18(5)6;1-12(16(2,3)4)13-9-10-15(17-11-13)18-14-7-5-6-8-14;1-6-7-10-16-14-9-8-13(11-17-14)12(2)15(3,4)5/h7-8,13-15H,9-12H2,1-6H3;10-11,14-15H,8-9,12-13H2,1-7H3;7-8,11,13,15H,9-10,12H2,1-6H3;7-8,13-14H,6,9-12H2,1-5H3;9-10,13-14H,8,11-12H2,1-7H3;6-7,10,12,14H,8-9,11H2,1-5H3,(H,17,18);8-9,12-13H,10-11H2,1-7H3;9-12,14H,5-8H2,1-4H3,(H,17,18);8-9,11-12H,6-7,10H2,1-5H3,(H,16,17)/t2*15-;13-,15-;;14-;12?,14-;13-;;/m111.101../s1
InChIKeyLPCRDCNTENJVIU-JKWZDSMNSA-N
XLogP33.74
TPSA194.22 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002414.91
LogP ≤ 533.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

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Cyclohexyl-{4-[1-((cis-3,5-dimethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899903
6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56949105
3-[6-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 123133066
N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)quinuclidin-3-amine
CID 56756029
1-ethyl-N-({2-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinyl}methyl)-4-piperidinamine
CID 28230394
2-(3,3-difluoropyrrolidin-1-yl)-N-[6-[[1-[4-(1-methylpiperidin-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-2-yl]methyl]-4-propan-2-yl-2-pyridinyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 123719409
2-[2-[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]-5,5-difluoropiperidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123778904
2-[3,3-difluoro-5-[3-[2-piperidin-1-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]piperidin-1-yl]-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123836936
3-[2-[1-[3-amino-6-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]ethenylamino]-3-pyridinyl]-N-(4,4-dimethylpent-1-en-2-yl)-3-azabicyclo[3.2.1]octan-8-amine
CID 139333366
3-[1-[[3-(3-Amino-5-ethyl-4-methylpiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 139333452

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 159415533) is N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is CC(C)N1CCN(c2ccc([C@@H](C)C(C)(C)C)cn2)CC1.CC(c1ccc(NC2CCCC2)nc1)C(C)(C)C.CC(c1ccc(N[C@H]2CCN(C)C2)nc1)C(C)(C)C.CCCCNc1ccc(C(C)C(C)(C)C)cn1.CCN(CC)CCN(C)c1ccc([C@@H](C)C(C)(C)C)cn1.CCN1CCN(c2ccc(C(C)C(C)(C)C)cn2)CC1.C[C@H](c1ccc(N(C)CCCN(C)C)nc1)C(C)(C)C.C[C@H](c1ccc(N(C)CCN(C)C)nc1)C(C)(C)C.C[C@H](c1ccc(N2CC[C@@H](N(C)C)C2)nc1)C(C)(C)C.
What is the InChIKey of N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is LPCRDCNTENJVIU-JKWZDSMNSA-N. The full InChI is InChI=1S/C18H31N3.C18H33N3.2C17H29N3.C17H31N3.C16H27N3.C16H29N3.C16H26N2.C15H26N2/c1-14(2)20-9-11-21(12-10-20)17-8-7-16(13-19-17)15(3)18(4,5)6;1-8-21(9-2)13-12-20(7)17-11-10-16(14-19-17)15(3)18(4,5)6;1-13(17(2,3)4)14-7-8-16(18-11-14)20-10-9-15(12-20)19(5)6;1-6-19-9-11-20(12-10-19)16-8-7-15(13-18-16)14(2)17(3,4)5;1-14(17(2,3)4)15-9-10-16(18-13-15)20(7)12-8-11-19(5)6;1-12(16(2,3)4)13-6-7-15(17-10-13)18-14-8-9-19(5)11-14;1-13(16(2,3)4)14-8-9-15(17-12-14)19(7)11-10-18(5)6;1-12(16(2,3)4)13-9-10-15(17-11-13)18-14-7-5-6-8-14;1-6-7-10-16-14-9-8-13(11-17-14)12(2)15(3,4)5/h7-8,13-15H,9-12H2,1-6H3;10-11,14-15H,8-9,12-13H2,1-7H3;7-8,11,13,15H,9-10,12H2,1-6H3;7-8,13-14H,6,9-12H2,1-5H3;9-10,13-14H,8,11-12H2,1-7H3;6-7,10,12,14H,8-9,11H2,1-5H3,(H,17,18);8-9,12-13H,10-11H2,1-7H3;9-12,14H,5-8H2,1-4H3,(H,17,18);8-9,11-12H,6-7,10H2,1-5H3,(H,16,17)/t2*15-;13-,15-;;14-;12?,14-;13-;;/m111.101../s1.
What are the key properties of N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 2414.91 g/mol, XLogP of 33.74, 38 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;N-cyclopentyl-5-(3,3-dimethylbutan-2-yl)pyridin-2-amine;5-(3,3-dimethylbutan-2-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]pyridin-2-amine;N-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N',N'-diethyl-N-methylethane-1,2-diamine;(3R)-1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine;1-[5-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-4-ethylpiperazine;1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 159415533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).