[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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

C181H325N15O10 — CID 158858565

About [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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

[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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 (PubChem CID 158858565) has the molecular formula C181H325N15O10 and a molecular weight of 2871.69 g/mol. Its IUPAC name is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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.

Molecular Properties

• Compound Name: [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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
• PubChem CID: 158858565
• Molecular Formula: C181H325N15O10
• Molecular Weight: 2871.69 g/mol
• Exact Mass: 2869.54
• IUPAC Name: [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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
• SMILES: CC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.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(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
• InChI: InChI=1S/2C21H36N2O.C20H32N2O2.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H32N2O2.C16H34N2O.C14H30N2/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)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)12-20-10-8-14(19)18-9-7-13(11-18)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;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;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;13,17H,7-12H2,1-6H3;14,17H,7-13H2,1-6H3;7-12H2,1-6H3/t2*16?,19-;15-;;;;;13-;;/m001....1../s1
• InChIKey: JAJHGBCHNUJQHC-GZLPFPSWSA-N
• XLogP: 40.52
• TPSA: 226.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 49
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.69
LogP ≤ 5	40.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

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'}

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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?

The IUPAC name of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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 (CID 158858565) is [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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.

What is the SMILES notation for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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?

The canonical SMILES for [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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 is CC(C)(C)CCCOc1cccc(CCC(C)(C)C)c1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.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(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;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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?

The InChIKey is JAJHGBCHNUJQHC-GZLPFPSWSA-N. The full InChI is InChI=1S/2C21H36N2O.C20H32N2O2.C19H33N.C19H32O.C18H31NO.C17H29NO.C16H32N2O2.C16H34N2O.C14H30N2/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)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)12-20-10-8-14(19)18-9-7-13(11-18)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;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h2*8-11,16,19,22H,12-15H2,1-7H3;7-10,15,21H,11-14H2,1-6H3;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;13,17H,7-12H2,1-6H3;14,17H,7-13H2,1-6H3;7-12H2,1-6H3/t2*16?,19-;15-;;;;;13-;;/m001....1../s1.

What are the key properties of [(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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?

[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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 has a molecular weight of 2871.69 g/mol, XLogP of 40.52, 49 rotatable bonds, 8 hydrogen bond donors, and 23 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;1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;bis(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 is sourced from PubChem (CID 158858565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).