(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine

C16H21NO — CID 101184702

IUPAC(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine
SMILESC=CCNC(=C\COCC)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO/c1-3-13-17-16(12-14-18-4-2)11-10-15-8-6-5-7-9-15/h3,5-12,17H,1,4,13-14H2,2H3/b11-10+,16-12-
InChIKeyPCXIFTRKWSLEDZ-ZBUTWXCBSA-N
MW243.35 g/mol
LogP3.40
Rot. Bonds8

About (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine

(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine (PubChem CID 101184702) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine
PubChem CID101184702
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine
SMILESC=CCNC(=C\COCC)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO/c1-3-13-17-16(12-14-18-4-2)11-10-15-8-6-5-7-9-15/h3,5-12,17H,1,4,13-14H2,2H3/b11-10+,16-12-
InChIKeyPCXIFTRKWSLEDZ-ZBUTWXCBSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.40
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-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 (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine?
The IUPAC name of (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine (CID 101184702) is (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine.
What is the SMILES notation for (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine?
The canonical SMILES for (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine is C=CCNC(=C\COCC)/C=C/c1ccccc1.
What is the InChIKey of (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine?
The InChIKey is PCXIFTRKWSLEDZ-ZBUTWXCBSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-13-17-16(12-14-18-4-2)11-10-15-8-6-5-7-9-15/h3,5-12,17H,1,4,13-14H2,2H3/b11-10+,16-12-.
What are the key properties of (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine?
(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine is sourced from PubChem (CID 101184702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).