(E)-1-methoxy-N,4-dimethylhept-1-en-3-amine

C10H21NO — CID 170054562

IUPAC(E)-1-methoxy-N,4-dimethylhept-1-en-3-amine
SMILESCCCC(C)C(/C=C/OC)NC
InChIInChI=1S/C10H21NO/c1-5-6-9(2)10(11-3)7-8-12-4/h7-11H,5-6H2,1-4H3/b8-7+
InChIKeyYBHBXTBASXJLAB-BQYQJAHWSA-N
MW171.28 g/mol
LogP2.17
Rot. Bonds6

About (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine

(E)-1-methoxy-N,4-dimethylhept-1-en-3-amine (PubChem CID 170054562) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine.

Molecular Properties

Compound Name(E)-1-methoxy-N,4-dimethylhept-1-en-3-amine
PubChem CID170054562
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-1-methoxy-N,4-dimethylhept-1-en-3-amine
SMILESCCCC(C)C(/C=C/OC)NC
InChIInChI=1S/C10H21NO/c1-5-6-9(2)10(11-3)7-8-12-4/h7-11H,5-6H2,1-4H3/b8-7+
InChIKeyYBHBXTBASXJLAB-BQYQJAHWSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-1-methoxy-N,4-dimethylhept-1-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 (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine?
The IUPAC name of (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine (CID 170054562) is (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine.
What is the SMILES notation for (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine?
The canonical SMILES for (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine is CCCC(C)C(/C=C/OC)NC.
What is the InChIKey of (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine?
The InChIKey is YBHBXTBASXJLAB-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-9(2)10(11-3)7-8-12-4/h7-11H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine?
(E)-1-methoxy-N,4-dimethylhept-1-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-N,4-dimethylhept-1-en-3-amine is sourced from PubChem (CID 170054562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).