(3S)-2-methylheptan-3-amine

C8H19N — CID 11018895

IUPAC(3S)-2-methylheptan-3-amine
SMILESCCCC[C@H](N)C(C)C
InChIInChI=1S/C8H19N/c1-4-5-6-8(9)7(2)3/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyWXTMKAIMGVITMT-QMMMGPOBSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds4

About (3S)-2-methylheptan-3-amine

(3S)-2-methylheptan-3-amine (PubChem CID 11018895) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (3S)-2-methylheptan-3-amine.

Molecular Properties

Compound Name(3S)-2-methylheptan-3-amine
PubChem CID11018895
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(3S)-2-methylheptan-3-amine
SMILESCCCC[C@H](N)C(C)C
InChIInChI=1S/C8H19N/c1-4-5-6-8(9)7(2)3/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
InChIKeyWXTMKAIMGVITMT-QMMMGPOBSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-2-methylheptan-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

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylheptan-3-amine?
The IUPAC name of (3S)-2-methylheptan-3-amine (CID 11018895) is (3S)-2-methylheptan-3-amine.
What is the SMILES notation for (3S)-2-methylheptan-3-amine?
The canonical SMILES for (3S)-2-methylheptan-3-amine is CCCC[C@H](N)C(C)C.
What is the InChIKey of (3S)-2-methylheptan-3-amine?
The InChIKey is WXTMKAIMGVITMT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-4-5-6-8(9)7(2)3/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-2-methylheptan-3-amine?
(3S)-2-methylheptan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methylheptan-3-amine is sourced from PubChem (CID 11018895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).