4-methylhex-4-en-3-amine

C7H15N — CID 123973735

IUPAC4-methylhex-4-en-3-amine
SMILESCC=C(C)C(N)CC
InChIInChI=1S/C7H15N/c1-4-6(3)7(8)5-2/h4,7H,5,8H2,1-3H3
InChIKeyTWGDVXMRTXSQEJ-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds2

About 4-methylhex-4-en-3-amine

4-methylhex-4-en-3-amine (PubChem CID 123973735) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 4-methylhex-4-en-3-amine.

Molecular Properties

Compound Name4-methylhex-4-en-3-amine
PubChem CID123973735
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name4-methylhex-4-en-3-amine
SMILESCC=C(C)C(N)CC
InChIInChI=1S/C7H15N/c1-4-6(3)7(8)5-2/h4,7H,5,8H2,1-3H3
InChIKeyTWGDVXMRTXSQEJ-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methylhex-4-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 4-methylhex-4-en-3-amine?
The IUPAC name of 4-methylhex-4-en-3-amine (CID 123973735) is 4-methylhex-4-en-3-amine.
What is the SMILES notation for 4-methylhex-4-en-3-amine?
The canonical SMILES for 4-methylhex-4-en-3-amine is CC=C(C)C(N)CC.
What is the InChIKey of 4-methylhex-4-en-3-amine?
The InChIKey is TWGDVXMRTXSQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-4-6(3)7(8)5-2/h4,7H,5,8H2,1-3H3.
What are the key properties of 4-methylhex-4-en-3-amine?
4-methylhex-4-en-3-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhex-4-en-3-amine is sourced from PubChem (CID 123973735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).