(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine

C12H23NO — CID 163989217

IUPAC(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine
SMILESC=C(/C=C\C(CC)CC(C)NC)OC
InChIInChI=1S/C12H23NO/c1-6-12(9-10(2)13-4)8-7-11(3)14-5/h7-8,10,12-13H,3,6,9H2,1-2,4-5H3/b8-7-
InChIKeyTZCLZHUVACBXNE-FPLPWBNLSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds7

About (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine

(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine (PubChem CID 163989217) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine
PubChem CID163989217
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine
SMILESC=C(/C=C\C(CC)CC(C)NC)OC
InChIInChI=1S/C12H23NO/c1-6-12(9-10(2)13-4)8-7-11(3)14-5/h7-8,10,12-13H,3,6,9H2,1-2,4-5H3/b8-7-
InChIKeyTZCLZHUVACBXNE-FPLPWBNLSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
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 (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-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 (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine?
The IUPAC name of (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine (CID 163989217) is (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine.
What is the SMILES notation for (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine?
The canonical SMILES for (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine is C=C(/C=C\C(CC)CC(C)NC)OC.
What is the InChIKey of (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine?
The InChIKey is TZCLZHUVACBXNE-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-12(9-10(2)13-4)8-7-11(3)14-5/h7-8,10,12-13H,3,6,9H2,1-2,4-5H3/b8-7-.
What are the key properties of (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine?
(5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-ethyl-7-methoxy-N-methylocta-5,7-dien-2-amine is sourced from PubChem (CID 163989217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).