(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine

C17H31N3 — CID 10588599

IUPAC(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
SMILESCCCN[C@H](CCC)CN[C@H](CN)Cc1ccccc1
InChIInChI=1S/C17H31N3/c1-3-8-16(19-11-4-2)14-20-17(13-18)12-15-9-6-5-7-10-15/h5-7,9-10,16-17,19-20H,3-4,8,11-14,18H2,1-2H3/t16-,17+/m1/s1
InChIKeyMDSSMLQKBAUDJB-SJORKVTESA-N
MW277.46 g/mol
LogP2.31
Rot. Bonds11

About (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine

(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine (PubChem CID 10588599) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
PubChem CID10588599
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
SMILESCCCN[C@H](CCC)CN[C@H](CN)Cc1ccccc1
InChIInChI=1S/C17H31N3/c1-3-8-16(19-11-4-2)14-20-17(13-18)12-15-9-6-5-7-10-15/h5-7,9-10,16-17,19-20H,3-4,8,11-14,18H2,1-2H3/t16-,17+/m1/s1
InChIKeyMDSSMLQKBAUDJB-SJORKVTESA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-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-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
CID 102697099
3-[(1-amino-3-phenylpropan-2-yl)amino]propan-1-ol
CID 65378024
2-N-but-3-ynyl-3-phenylpropane-1,2-diamine
CID 116641200
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
CID 65025934
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095
N-(1-phenylpentan-2-yl)formamide
CID 87974467
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine?
The IUPAC name of (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine (CID 10588599) is (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine is CCCN[C@H](CCC)CN[C@H](CN)Cc1ccccc1.
What is the InChIKey of (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine?
The InChIKey is MDSSMLQKBAUDJB-SJORKVTESA-N. The full InChI is InChI=1S/C17H31N3/c1-3-8-16(19-11-4-2)14-20-17(13-18)12-15-9-6-5-7-10-15/h5-7,9-10,16-17,19-20H,3-4,8,11-14,18H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine?
(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.31, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 10588599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).