(Z)-4-methoxyhept-2-en-1-amine

C8H17NO — CID 89073845

IUPAC(Z)-4-methoxyhept-2-en-1-amine
SMILESCCCC(/C=C\CN)OC
InChIInChI=1S/C8H17NO/c1-3-5-8(10-2)6-4-7-9/h4,6,8H,3,5,7,9H2,1-2H3/b6-4-
InChIKeyKPJOJGGDKLVRFJ-XQRVVYSFSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds5

About (Z)-4-methoxyhept-2-en-1-amine

(Z)-4-methoxyhept-2-en-1-amine (PubChem CID 89073845) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-4-methoxyhept-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methoxyhept-2-en-1-amine
PubChem CID89073845
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-4-methoxyhept-2-en-1-amine
SMILESCCCC(/C=C\CN)OC
InChIInChI=1S/C8H17NO/c1-3-5-8(10-2)6-4-7-9/h4,6,8H,3,5,7,9H2,1-2H3/b6-4-
InChIKeyKPJOJGGDKLVRFJ-XQRVVYSFSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-methoxyhept-2-en-1-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 (Z)-4-methoxyhept-2-en-1-amine?
The IUPAC name of (Z)-4-methoxyhept-2-en-1-amine (CID 89073845) is (Z)-4-methoxyhept-2-en-1-amine.
What is the SMILES notation for (Z)-4-methoxyhept-2-en-1-amine?
The canonical SMILES for (Z)-4-methoxyhept-2-en-1-amine is CCCC(/C=C\CN)OC.
What is the InChIKey of (Z)-4-methoxyhept-2-en-1-amine?
The InChIKey is KPJOJGGDKLVRFJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(10-2)6-4-7-9/h4,6,8H,3,5,7,9H2,1-2H3/b6-4-.
What are the key properties of (Z)-4-methoxyhept-2-en-1-amine?
(Z)-4-methoxyhept-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxyhept-2-en-1-amine is sourced from PubChem (CID 89073845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).