(3S)-N,2,5-trimethylhex-1-en-3-amine

C9H19N — CID 88572418

IUPAC(3S)-N,2,5-trimethylhex-1-en-3-amine
SMILESC=C(C)[C@H](CC(C)C)NC
InChIInChI=1S/C9H19N/c1-7(2)6-9(10-5)8(3)4/h7,9-10H,3,6H2,1-2,4-5H3/t9-/m0/s1
InChIKeyPQNYKQIDPTWBJV-VIFPVBQESA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds4

About (3S)-N,2,5-trimethylhex-1-en-3-amine

(3S)-N,2,5-trimethylhex-1-en-3-amine (PubChem CID 88572418) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3S)-N,2,5-trimethylhex-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N,2,5-trimethylhex-1-en-3-amine
PubChem CID88572418
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3S)-N,2,5-trimethylhex-1-en-3-amine
SMILESC=C(C)[C@H](CC(C)C)NC
InChIInChI=1S/C9H19N/c1-7(2)6-9(10-5)8(3)4/h7,9-10H,3,6H2,1-2,4-5H3/t9-/m0/s1
InChIKeyPQNYKQIDPTWBJV-VIFPVBQESA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-N,2,5-trimethylhex-1-en-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)-N,2,5-trimethylhex-1-en-3-amine?
The IUPAC name of (3S)-N,2,5-trimethylhex-1-en-3-amine (CID 88572418) is (3S)-N,2,5-trimethylhex-1-en-3-amine.
What is the SMILES notation for (3S)-N,2,5-trimethylhex-1-en-3-amine?
The canonical SMILES for (3S)-N,2,5-trimethylhex-1-en-3-amine is C=C(C)[C@H](CC(C)C)NC.
What is the InChIKey of (3S)-N,2,5-trimethylhex-1-en-3-amine?
The InChIKey is PQNYKQIDPTWBJV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)6-9(10-5)8(3)4/h7,9-10H,3,6H2,1-2,4-5H3/t9-/m0/s1.
What are the key properties of (3S)-N,2,5-trimethylhex-1-en-3-amine?
(3S)-N,2,5-trimethylhex-1-en-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,2,5-trimethylhex-1-en-3-amine is sourced from PubChem (CID 88572418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).