(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine

C86H128N12 — CID 160786685

IUPAC(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine
SMILESNCCC[C@H](N)CNC(CCc1ccccc1)CCc1ccccc1.NCC[C@H](N)CNC(CCc1ccccc1)CCc1ccccc1.NC[C@@H](N)CCCNC(CCc1ccccc1)CCc1ccccc1.NC[C@@H](N)CCNC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/2C22H33N3.2C21H31N3/c23-18-21(24)12-7-17-25-22(15-13-19-8-3-1-4-9-19)16-14-20-10-5-2-6-11-20;23-17-7-12-21(24)18-25-22(15-13-19-8-3-1-4-9-19)16-14-20-10-5-2-6-11-20;22-17-20(23)15-16-24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;22-16-15-20(23)17-24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19/h2*1-6,8-11,21-22,25H,7,12-18,23-24H2;2*1-10,20-21,24H,11-17,22-23H2/t2*21-;2*20-/m0000/s1
InChIKeySBHLHJCOOFGOFI-OPKKGWGESA-N
MW1330.05 g/mol
LogP12.33
Rot. Bonds46

About (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine

(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine (PubChem CID 160786685) has the molecular formula C86H128N12 and a molecular weight of 1330.05 g/mol. Its IUPAC name is (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine.

Molecular Properties

Compound Name(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine
PubChem CID160786685
Molecular FormulaC86H128N12
Molecular Weight1330.05 g/mol
Exact Mass1329.04
IUPAC Name(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine
SMILESNCCC[C@H](N)CNC(CCc1ccccc1)CCc1ccccc1.NCC[C@H](N)CNC(CCc1ccccc1)CCc1ccccc1.NC[C@@H](N)CCCNC(CCc1ccccc1)CCc1ccccc1.NC[C@@H](N)CCNC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/2C22H33N3.2C21H31N3/c23-18-21(24)12-7-17-25-22(15-13-19-8-3-1-4-9-19)16-14-20-10-5-2-6-11-20;23-17-7-12-21(24)18-25-22(15-13-19-8-3-1-4-9-19)16-14-20-10-5-2-6-11-20;22-17-20(23)15-16-24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;22-16-15-20(23)17-24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19/h2*1-6,8-11,21-22,25H,7,12-18,23-24H2;2*1-10,20-21,24H,11-17,22-23H2/t2*21-;2*20-/m0000/s1
InChIKeySBHLHJCOOFGOFI-OPKKGWGESA-N
XLogP12.33
TPSA256.28 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds46
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001330.05
LogP ≤ 512.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine 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

6-phenylhexane-1,4-diamine
CID 23163544
7-phenylheptane-1,4-diamine
CID 174860311
1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
CID 23467801
5-phenylpentane-1,3-diamine
CID 68702978
(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine
CID 135143739
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
4-[(2S)-2-[[(2S)-2-aminohexyl]amino]-3-[[(3R)-5-methyl-1-phenylhexan-3-yl]amino]propyl]phenol;trihydrochloride
CID 70287539
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
CID 145359006
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine
CID 71061994
ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285
13-phenyltridecan-1-amine
CID 19801439

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine?
The IUPAC name of (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine (CID 160786685) is (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine.
What is the SMILES notation for (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine?
The canonical SMILES for (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine is NCCC[C@H](N)CNC(CCc1ccccc1)CCc1ccccc1.NCC[C@H](N)CNC(CCc1ccccc1)CCc1ccccc1.NC[C@@H](N)CCCNC(CCc1ccccc1)CCc1ccccc1.NC[C@@H](N)CCNC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine?
The InChIKey is SBHLHJCOOFGOFI-OPKKGWGESA-N. The full InChI is InChI=1S/2C22H33N3.2C21H31N3/c23-18-21(24)12-7-17-25-22(15-13-19-8-3-1-4-9-19)16-14-20-10-5-2-6-11-20;23-17-7-12-21(24)18-25-22(15-13-19-8-3-1-4-9-19)16-14-20-10-5-2-6-11-20;22-17-20(23)15-16-24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;22-16-15-20(23)17-24-21(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19/h2*1-6,8-11,21-22,25H,7,12-18,23-24H2;2*1-10,20-21,24H,11-17,22-23H2/t2*21-;2*20-/m0000/s1.
What are the key properties of (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine?
(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine has a molecular weight of 1330.05 g/mol, XLogP of 12.33, 46 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine is sourced from PubChem (CID 160786685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).