(4S)-2,5-dimethylheptan-4-amine

C9H21N — CID 145304890

IUPAC(4S)-2,5-dimethylheptan-4-amine
SMILESCCC(C)[C@@H](N)CC(C)C
InChIInChI=1S/C9H21N/c1-5-8(4)9(10)6-7(2)3/h7-9H,5-6,10H2,1-4H3/t8?,9-/m0/s1
InChIKeyYEIWNAWPEHBBAR-GKAPJAKFSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds4

About (4S)-2,5-dimethylheptan-4-amine

(4S)-2,5-dimethylheptan-4-amine (PubChem CID 145304890) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (4S)-2,5-dimethylheptan-4-amine.

Molecular Properties

Compound Name(4S)-2,5-dimethylheptan-4-amine
PubChem CID145304890
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(4S)-2,5-dimethylheptan-4-amine
SMILESCCC(C)[C@@H](N)CC(C)C
InChIInChI=1S/C9H21N/c1-5-8(4)9(10)6-7(2)3/h7-9H,5-6,10H2,1-4H3/t8?,9-/m0/s1
InChIKeyYEIWNAWPEHBBAR-GKAPJAKFSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-2,5-dimethylheptan-4-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

6-ethyl-3-methyloctan-4-amine
CID 82922428
3,6,7,8-tetramethylnonan-4-amine
CID 138714564
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
3-amino-2-ethyl-5-methylhexan-1-ol
CID 116945255
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(2S)-1-methoxy-4-methylpentane-1,2-diamine
CID 166706946
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143

Frequently Asked Questions

What is the IUPAC name of (4S)-2,5-dimethylheptan-4-amine?
The IUPAC name of (4S)-2,5-dimethylheptan-4-amine (CID 145304890) is (4S)-2,5-dimethylheptan-4-amine.
What is the SMILES notation for (4S)-2,5-dimethylheptan-4-amine?
The canonical SMILES for (4S)-2,5-dimethylheptan-4-amine is CCC(C)[C@@H](N)CC(C)C.
What is the InChIKey of (4S)-2,5-dimethylheptan-4-amine?
The InChIKey is YEIWNAWPEHBBAR-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H21N/c1-5-8(4)9(10)6-7(2)3/h7-9H,5-6,10H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (4S)-2,5-dimethylheptan-4-amine?
(4S)-2,5-dimethylheptan-4-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,5-dimethylheptan-4-amine is sourced from PubChem (CID 145304890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).