N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine

C122H188N12O2S6 — CID 158289932

IUPACN'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCCSCc1ccccc1.CN(C)CCCN(CCCSCc1ccccc1)Cc1ccccc1.CN(CCCSCc1ccccc1)CCCN1CCCC1.CN(CCCSCc1ccccc1)CCCN1CCOCC1.c1ccc(CSCCCN(CCCN2CCCC2)Cc2ccccc2)cc1.c1ccc(CSCCCN(CCCN2CCOCC2)Cc2ccccc2)cc1
InChIInChI=1S/C24H34N2OS.C24H34N2S.C22H32N2S.C18H30N2OS.C18H30N2S.C16H28N2S/c1-3-9-23(10-4-1)21-26(14-7-13-25-16-18-27-19-17-25)15-8-20-28-22-24-11-5-2-6-12-24;1-3-11-23(12-4-1)21-26(18-9-17-25-15-7-8-16-25)19-10-20-27-22-24-13-5-2-6-14-24;1-23(2)15-9-16-24(19-21-11-5-3-6-12-21)17-10-18-25-20-22-13-7-4-8-14-22;1-19(9-5-11-20-12-14-21-15-13-20)10-6-16-22-17-18-7-3-2-4-8-18;1-19(11-7-15-20-13-5-6-14-20)12-8-16-21-17-18-9-3-2-4-10-18;1-17(2)11-7-12-18(3)13-8-14-19-15-16-9-5-4-6-10-16/h1-6,9-12H,7-8,13-22H2;1-6,11-14H,7-10,15-22H2;3-8,11-14H,9-10,15-20H2,1-2H3;2-4,7-8H,5-6,9-17H2,1H3;2-4,9-10H,5-8,11-17H2,1H3;4-6,9-10H,7-8,11-15H2,1-3H3
InChIKeyGLFORLAKTSDPOD-UHFFFAOYSA-N
MW2047.33 g/mol
LogP24.48
Rot. Bonds66

About N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine

N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 158289932) has the molecular formula C122H188N12O2S6 and a molecular weight of 2047.33 g/mol. Its IUPAC name is N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID158289932
Molecular FormulaC122H188N12O2S6
Molecular Weight2047.33 g/mol
Exact Mass2045.33
IUPAC NameN'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCCSCc1ccccc1.CN(C)CCCN(CCCSCc1ccccc1)Cc1ccccc1.CN(CCCSCc1ccccc1)CCCN1CCCC1.CN(CCCSCc1ccccc1)CCCN1CCOCC1.c1ccc(CSCCCN(CCCN2CCCC2)Cc2ccccc2)cc1.c1ccc(CSCCCN(CCCN2CCOCC2)Cc2ccccc2)cc1
InChIInChI=1S/C24H34N2OS.C24H34N2S.C22H32N2S.C18H30N2OS.C18H30N2S.C16H28N2S/c1-3-9-23(10-4-1)21-26(14-7-13-25-16-18-27-19-17-25)15-8-20-28-22-24-11-5-2-6-12-24;1-3-11-23(12-4-1)21-26(18-9-17-25-15-7-8-16-25)19-10-20-27-22-24-13-5-2-6-14-24;1-23(2)15-9-16-24(19-21-11-5-3-6-12-21)17-10-18-25-20-22-13-7-4-8-14-22;1-19(9-5-11-20-12-14-21-15-13-20)10-6-16-22-17-18-7-3-2-4-8-18;1-19(11-7-15-20-13-5-6-14-20)12-8-16-21-17-18-9-3-2-4-10-18;1-17(2)11-7-12-18(3)13-8-14-19-15-16-9-5-4-6-10-16/h1-6,9-12H,7-8,13-22H2;1-6,11-14H,7-10,15-22H2;3-8,11-14H,9-10,15-20H2,1-2H3;2-4,7-8H,5-6,9-17H2,1H3;2-4,9-10H,5-8,11-17H2,1H3;4-6,9-10H,7-8,11-15H2,1-3H3
InChIKeyGLFORLAKTSDPOD-UHFFFAOYSA-N
XLogP24.48
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds66
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.33
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 118585042
N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
CID 118585226
N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 118584944
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
N-benzyl-N-[2-(cyclohexa-1,3-dien-5-yn-1-ylmethylsulfanyl)ethyl]-2-morpholin-4-ylethanamine
CID 146353288
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 20766137
2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(furan-2-yl)ethanol
CID 75377692
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine (CID 158289932) is N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CCCSCc1ccccc1.CN(C)CCCN(CCCSCc1ccccc1)Cc1ccccc1.CN(CCCSCc1ccccc1)CCCN1CCCC1.CN(CCCSCc1ccccc1)CCCN1CCOCC1.c1ccc(CSCCCN(CCCN2CCCC2)Cc2ccccc2)cc1.c1ccc(CSCCCN(CCCN2CCOCC2)Cc2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is GLFORLAKTSDPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2OS.C24H34N2S.C22H32N2S.C18H30N2OS.C18H30N2S.C16H28N2S/c1-3-9-23(10-4-1)21-26(14-7-13-25-16-18-27-19-17-25)15-8-20-28-22-24-11-5-2-6-12-24;1-3-11-23(12-4-1)21-26(18-9-17-25-15-7-8-16-25)19-10-20-27-22-24-13-5-2-6-14-24;1-23(2)15-9-16-24(19-21-11-5-3-6-12-21)17-10-18-25-20-22-13-7-4-8-14-22;1-19(9-5-11-20-12-14-21-15-13-20)10-6-16-22-17-18-7-3-2-4-8-18;1-19(11-7-15-20-13-5-6-14-20)12-8-16-21-17-18-9-3-2-4-10-18;1-17(2)11-7-12-18(3)13-8-14-19-15-16-9-5-4-6-10-16/h1-6,9-12H,7-8,13-22H2;1-6,11-14H,7-10,15-22H2;3-8,11-14H,9-10,15-20H2,1-2H3;2-4,7-8H,5-6,9-17H2,1H3;2-4,9-10H,5-8,11-17H2,1H3;4-6,9-10H,7-8,11-15H2,1-3H3.
What are the key properties of N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 2047.33 g/mol, XLogP of 24.48, 66 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-benzylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-morpholin-4-ylpropan-1-amine;N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-morpholin-4-ylpropan-1-amine;N-(3-benzylsulfanylpropyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine;N'-(3-benzylsulfanylpropyl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 158289932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).