(3R)-4,5-dimethylheptan-3-amine

C9H21N — CID 163978078

IUPAC(3R)-4,5-dimethylheptan-3-amine
SMILESCCC(C)C(C)[C@H](N)CC
InChIInChI=1S/C9H21N/c1-5-7(3)8(4)9(10)6-2/h7-9H,5-6,10H2,1-4H3/t7?,8?,9-/m1/s1
InChIKeySVXPJHWSGQFNJB-AMDVSUOASA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds4

About (3R)-4,5-dimethylheptan-3-amine

(3R)-4,5-dimethylheptan-3-amine (PubChem CID 163978078) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (3R)-4,5-dimethylheptan-3-amine.

Molecular Properties

Compound Name(3R)-4,5-dimethylheptan-3-amine
PubChem CID163978078
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(3R)-4,5-dimethylheptan-3-amine
SMILESCCC(C)C(C)[C@H](N)CC
InChIInChI=1S/C9H21N/c1-5-7(3)8(4)9(10)6-2/h7-9H,5-6,10H2,1-4H3/t7?,8?,9-/m1/s1
InChIKeySVXPJHWSGQFNJB-AMDVSUOASA-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 (3R)-4,5-dimethylheptan-3-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

(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
hexane-3,4-diamine
CID 12656175
(4S)-2,3,4-trimethylhexane
CID 58359072
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
1,1,1-trifluoro-3,4-dimethylhexan-2-amine
CID 163739387
3,6,7,8-tetramethylnonan-4-amine
CID 138714564
2,3-dimethyl-1-(methylideneamino)pentan-1-amine
CID 91477509
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
2-amino-3,4-dimethylhexanamide
CID 131230677

Frequently Asked Questions

What is the IUPAC name of (3R)-4,5-dimethylheptan-3-amine?
The IUPAC name of (3R)-4,5-dimethylheptan-3-amine (CID 163978078) is (3R)-4,5-dimethylheptan-3-amine.
What is the SMILES notation for (3R)-4,5-dimethylheptan-3-amine?
The canonical SMILES for (3R)-4,5-dimethylheptan-3-amine is CCC(C)C(C)[C@H](N)CC.
What is the InChIKey of (3R)-4,5-dimethylheptan-3-amine?
The InChIKey is SVXPJHWSGQFNJB-AMDVSUOASA-N. The full InChI is InChI=1S/C9H21N/c1-5-7(3)8(4)9(10)6-2/h7-9H,5-6,10H2,1-4H3/t7?,8?,9-/m1/s1.
What are the key properties of (3R)-4,5-dimethylheptan-3-amine?
(3R)-4,5-dimethylheptan-3-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 (3R)-4,5-dimethylheptan-3-amine is sourced from PubChem (CID 163978078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).