1-methoxy-6-methylidene-N-propyloctan-4-amine

C13H27NO — CID 66038762

IUPAC1-methoxy-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CCCOC)NCCC
InChIInChI=1S/C13H27NO/c1-5-9-14-13(8-7-10-15-4)11-12(3)6-2/h13-14H,3,5-11H2,1-2,4H3
InChIKeyNRZVJKQRYWCNRR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds10

About 1-methoxy-6-methylidene-N-propyloctan-4-amine

1-methoxy-6-methylidene-N-propyloctan-4-amine (PubChem CID 66038762) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-methoxy-6-methylidene-N-propyloctan-4-amine.

Molecular Properties

Compound Name1-methoxy-6-methylidene-N-propyloctan-4-amine
PubChem CID66038762
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-methoxy-6-methylidene-N-propyloctan-4-amine
SMILESC=C(CC)CC(CCCOC)NCCC
InChIInChI=1S/C13H27NO/c1-5-9-14-13(8-7-10-15-4)11-12(3)6-2/h13-14H,3,5-11H2,1-2,4H3
InChIKeyNRZVJKQRYWCNRR-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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 1-methoxy-6-methylidene-N-propyloctan-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 1-methoxy-6-methylidene-N-propyloctan-4-amine?
The IUPAC name of 1-methoxy-6-methylidene-N-propyloctan-4-amine (CID 66038762) is 1-methoxy-6-methylidene-N-propyloctan-4-amine.
What is the SMILES notation for 1-methoxy-6-methylidene-N-propyloctan-4-amine?
The canonical SMILES for 1-methoxy-6-methylidene-N-propyloctan-4-amine is C=C(CC)CC(CCCOC)NCCC.
What is the InChIKey of 1-methoxy-6-methylidene-N-propyloctan-4-amine?
The InChIKey is NRZVJKQRYWCNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-9-14-13(8-7-10-15-4)11-12(3)6-2/h13-14H,3,5-11H2,1-2,4H3.
What are the key properties of 1-methoxy-6-methylidene-N-propyloctan-4-amine?
1-methoxy-6-methylidene-N-propyloctan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methylidene-N-propyloctan-4-amine is sourced from PubChem (CID 66038762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).