(2S,3S)-N-benzyl-3-methylpentan-2-amine

C13H21N — CID 28611874

IUPAC(2S,3S)-N-benzyl-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@H](C)NCc1ccccc1
InChIInChI=1S/C13H21N/c1-4-11(2)12(3)14-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3/t11-,12-/m0/s1
InChIKeyQVYAZIIADKRQGY-RYUDHWBXSA-N
MW191.32 g/mol
LogP3.21
Rot. Bonds5

About (2S,3S)-N-benzyl-3-methylpentan-2-amine

(2S,3S)-N-benzyl-3-methylpentan-2-amine (PubChem CID 28611874) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2S,3S)-N-benzyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-N-benzyl-3-methylpentan-2-amine
PubChem CID28611874
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2S,3S)-N-benzyl-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@H](C)NCc1ccccc1
InChIInChI=1S/C13H21N/c1-4-11(2)12(3)14-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3/t11-,12-/m0/s1
InChIKeyQVYAZIIADKRQGY-RYUDHWBXSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-N-benzyl-3-methylpentan-2-amine 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,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
CID 63456005
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
3-methyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 61463702
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-benzyl-3-methylpentan-2-amine?
The IUPAC name of (2S,3S)-N-benzyl-3-methylpentan-2-amine (CID 28611874) is (2S,3S)-N-benzyl-3-methylpentan-2-amine.
What is the SMILES notation for (2S,3S)-N-benzyl-3-methylpentan-2-amine?
The canonical SMILES for (2S,3S)-N-benzyl-3-methylpentan-2-amine is CC[C@H](C)[C@H](C)NCc1ccccc1.
What is the InChIKey of (2S,3S)-N-benzyl-3-methylpentan-2-amine?
The InChIKey is QVYAZIIADKRQGY-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N/c1-4-11(2)12(3)14-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-N-benzyl-3-methylpentan-2-amine?
(2S,3S)-N-benzyl-3-methylpentan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-benzyl-3-methylpentan-2-amine is sourced from PubChem (CID 28611874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).