7-methoxyhept-1-en-4-amine

C8H17NO — CID 65091974

IUPAC7-methoxyhept-1-en-4-amine
SMILESC=CCC(N)CCCOC
InChIInChI=1S/C8H17NO/c1-3-5-8(9)6-4-7-10-2/h3,8H,1,4-7,9H2,2H3
InChIKeyZIRFFZYYLVWTIV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 7-methoxyhept-1-en-4-amine

7-methoxyhept-1-en-4-amine (PubChem CID 65091974) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 7-methoxyhept-1-en-4-amine.

Molecular Properties

Compound Name7-methoxyhept-1-en-4-amine
PubChem CID65091974
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name7-methoxyhept-1-en-4-amine
SMILESC=CCC(N)CCCOC
InChIInChI=1S/C8H17NO/c1-3-5-8(9)6-4-7-10-2/h3,8H,1,4-7,9H2,2H3
InChIKeyZIRFFZYYLVWTIV-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-methoxyhept-1-en-4-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 7-methoxyhept-1-en-4-amine?
The IUPAC name of 7-methoxyhept-1-en-4-amine (CID 65091974) is 7-methoxyhept-1-en-4-amine.
What is the SMILES notation for 7-methoxyhept-1-en-4-amine?
The canonical SMILES for 7-methoxyhept-1-en-4-amine is C=CCC(N)CCCOC.
What is the InChIKey of 7-methoxyhept-1-en-4-amine?
The InChIKey is ZIRFFZYYLVWTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(9)6-4-7-10-2/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 7-methoxyhept-1-en-4-amine?
7-methoxyhept-1-en-4-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyhept-1-en-4-amine is sourced from PubChem (CID 65091974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).