(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine

C14H24N2 — CID 52908228

IUPAC(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
SMILESCC(C)C[C@H](CN)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H24N2/c1-11(2)9-14(10-15)16-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10,15H2,1-3H3/t12-,14+/m0/s1
InChIKeyKKVIPCWNLAUNJZ-GXTWGEPZSA-N
MW220.36 g/mol
LogP2.71
Rot. Bonds6

About (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine

(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine (PubChem CID 52908228) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
PubChem CID52908228
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
SMILESCC(C)C[C@H](CN)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H24N2/c1-11(2)9-14(10-15)16-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10,15H2,1-3H3/t12-,14+/m0/s1
InChIKeyKKVIPCWNLAUNJZ-GXTWGEPZSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-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

4-methylsulfanyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 65193662
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
1-butan-2-yl-3-[4-methyl-2-(1-phenylethylamino)pentyl]urea
CID 71875258
4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide
CID 66430398
4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066978
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine?
The IUPAC name of (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine (CID 52908228) is (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine.
What is the SMILES notation for (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine?
The canonical SMILES for (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine is CC(C)C[C@H](CN)N[C@@H](C)c1ccccc1.
What is the InChIKey of (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine?
The InChIKey is KKVIPCWNLAUNJZ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)9-14(10-15)16-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10,15H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine?
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine is sourced from PubChem (CID 52908228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).