2-(azepan-1-yl)-2-methylhex-5-en-3-amine

C13H26N2 — CID 79052532

IUPAC2-(azepan-1-yl)-2-methylhex-5-en-3-amine
SMILESC=CCC(N)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H26N2/c1-4-9-12(14)13(2,3)15-10-7-5-6-8-11-15/h4,12H,1,5-11,14H2,2-3H3
InChIKeyGENPEZVYDITXMY-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds4

About 2-(azepan-1-yl)-2-methylhex-5-en-3-amine

2-(azepan-1-yl)-2-methylhex-5-en-3-amine (PubChem CID 79052532) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methylhex-5-en-3-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methylhex-5-en-3-amine
PubChem CID79052532
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(azepan-1-yl)-2-methylhex-5-en-3-amine
SMILESC=CCC(N)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H26N2/c1-4-9-12(14)13(2,3)15-10-7-5-6-8-11-15/h4,12H,1,5-11,14H2,2-3H3
InChIKeyGENPEZVYDITXMY-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azepan-1-yl)-2-methylhex-5-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 2-(azepan-1-yl)-2-methylhex-5-en-3-amine?
The IUPAC name of 2-(azepan-1-yl)-2-methylhex-5-en-3-amine (CID 79052532) is 2-(azepan-1-yl)-2-methylhex-5-en-3-amine.
What is the SMILES notation for 2-(azepan-1-yl)-2-methylhex-5-en-3-amine?
The canonical SMILES for 2-(azepan-1-yl)-2-methylhex-5-en-3-amine is C=CCC(N)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-methylhex-5-en-3-amine?
The InChIKey is GENPEZVYDITXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-9-12(14)13(2,3)15-10-7-5-6-8-11-15/h4,12H,1,5-11,14H2,2-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methylhex-5-en-3-amine?
2-(azepan-1-yl)-2-methylhex-5-en-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methylhex-5-en-3-amine is sourced from PubChem (CID 79052532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).