(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine

C13H23NO — CID 134534216

IUPAC(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(C)=C/C)N(CC)CCOC
InChIInChI=1S/C13H23NO/c1-6-12(3)8-9-13(4)14(7-2)10-11-15-5/h6,8-9H,4,7,10-11H2,1-3,5H3/b9-8-,12-6-
InChIKeyZFULKRDVTZJTFY-GNXJPQOPSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds7

About (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine

(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine (PubChem CID 134534216) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine
PubChem CID134534216
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(C)=C/C)N(CC)CCOC
InChIInChI=1S/C13H23NO/c1-6-12(3)8-9-13(4)14(7-2)10-11-15-5/h6,8-9H,4,7,10-11H2,1-3,5H3/b9-8-,12-6-
InChIKeyZFULKRDVTZJTFY-GNXJPQOPSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-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 (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine (CID 134534216) is (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine is C=C(/C=C\C(C)=C/C)N(CC)CCOC.
What is the InChIKey of (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine?
The InChIKey is ZFULKRDVTZJTFY-GNXJPQOPSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-12(3)8-9-13(4)14(7-2)10-11-15-5/h6,8-9H,4,7,10-11H2,1-3,5H3/b9-8-,12-6-.
What are the key properties of (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine?
(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 134534216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).