(2S)-octan-2-amine

C8H19N — CID 6999019

IUPAC(2S)-octan-2-amine
SMILESCCCCCC[C@H](C)N
InChIInChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyHBXNJMZWGSCKPW-QMMMGPOBSA-N
MW129.25 g/mol
LogP2.30
Rot. Bonds5

About (2S)-octan-2-amine

(2S)-octan-2-amine (PubChem CID 6999019) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-octan-2-amine.

Molecular Properties

Compound Name(2S)-octan-2-amine
PubChem CID6999019
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-octan-2-amine
SMILESCCCCCC[C@H](C)N
InChIInChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyHBXNJMZWGSCKPW-QMMMGPOBSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-octan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-octan-2-amine?
The IUPAC name of (2S)-octan-2-amine (CID 6999019) is (2S)-octan-2-amine.
What is the SMILES notation for (2S)-octan-2-amine?
The canonical SMILES for (2S)-octan-2-amine is CCCCCC[C@H](C)N.
What is the InChIKey of (2S)-octan-2-amine?
The InChIKey is HBXNJMZWGSCKPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-octan-2-amine?
(2S)-octan-2-amine has a molecular weight of 129.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-octan-2-amine is sourced from PubChem (CID 6999019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).