(3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine

C11H19NO — CID 142050511

IUPAC(3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine
SMILESC=C/C=C\C=C(\OC)C(C)CNC
InChIInChI=1S/C11H19NO/c1-5-6-7-8-11(13-4)10(2)9-12-3/h5-8,10,12H,1,9H2,2-4H3/b7-6-,11-8+
InChIKeyQRAPZRBJNBOBFW-BQGCWICQSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds6

About (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine

(3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine (PubChem CID 142050511) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine
PubChem CID142050511
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine
SMILESC=C/C=C\C=C(\OC)C(C)CNC
InChIInChI=1S/C11H19NO/c1-5-6-7-8-11(13-4)10(2)9-12-3/h5-8,10,12H,1,9H2,2-4H3/b7-6-,11-8+
InChIKeyQRAPZRBJNBOBFW-BQGCWICQSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-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 (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine?
The IUPAC name of (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine (CID 142050511) is (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine is C=C/C=C\C=C(\OC)C(C)CNC.
What is the InChIKey of (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine?
The InChIKey is QRAPZRBJNBOBFW-BQGCWICQSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-7-8-11(13-4)10(2)9-12-3/h5-8,10,12H,1,9H2,2-4H3/b7-6-,11-8+.
What are the key properties of (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine?
(3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methoxy-N,2-dimethylocta-3,5,7-trien-1-amine is sourced from PubChem (CID 142050511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).