(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine

C35H43N3 — CID 15858785

IUPAC(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCNC[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H43N3/c1-36-27-33(25-29-15-6-2-7-16-29)38-28-34(26-30-17-8-3-9-18-30)37-24-14-23-35(31-19-10-4-11-20-31)32-21-12-5-13-22-32/h2-13,15-22,33-38H,14,23-28H2,1H3/t33-,34-/m0/s1
InChIKeyNWSIKDOFTGQNFX-HEVIKAOCSA-N
MW505.75 g/mol
LogP6.22
Rot. Bonds16

About (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine

(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 15858785) has the molecular formula C35H43N3 and a molecular weight of 505.75 g/mol. Its IUPAC name is (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID15858785
Molecular FormulaC35H43N3
Molecular Weight505.75 g/mol
Exact Mass505.35
IUPAC Name(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCNC[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H43N3/c1-36-27-33(25-29-15-6-2-7-16-29)38-28-34(26-30-17-8-3-9-18-30)37-24-14-23-35(31-19-10-4-11-20-31)32-21-12-5-13-22-32/h2-13,15-22,33-38H,14,23-28H2,1H3/t33-,34-/m0/s1
InChIKeyNWSIKDOFTGQNFX-HEVIKAOCSA-N
XLogP6.22
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.75
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-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

(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine
CID 24793491
1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine
CID 100929641
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
N-(1,3-diphenylpropan-2-yl)-3-methoxy-3-phenylpropan-1-amine
CID 110177135
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
CID 70494547
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
CID 10588599
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine (CID 15858785) is (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine is CNC[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is NWSIKDOFTGQNFX-HEVIKAOCSA-N. The full InChI is InChI=1S/C35H43N3/c1-36-27-33(25-29-15-6-2-7-16-29)38-28-34(26-30-17-8-3-9-18-30)37-24-14-23-35(31-19-10-4-11-20-31)32-21-12-5-13-22-32/h2-13,15-22,33-38H,14,23-28H2,1H3/t33-,34-/m0/s1.
What are the key properties of (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine?
(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 505.75 g/mol, XLogP of 6.22, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 15858785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).