(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine

C12H15N — CID 143300629

IUPAC(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C(\N)c1ccccc1
InChIInChI=1S/C12H15N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-9H,13H2,1-2H3/b12-9-
InChIKeyDJMJWJGKUBIUIT-XFXZXTDPSA-N
MW173.26 g/mol
LogP2.95
Rot. Bonds2

About (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine

(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine (PubChem CID 143300629) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
PubChem CID143300629
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C(\N)c1ccccc1
InChIInChI=1S/C12H15N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-9H,13H2,1-2H3/b12-9-
InChIKeyDJMJWJGKUBIUIT-XFXZXTDPSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-4-methyl-1-phenylpenta-1,3-dien-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 (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine (CID 143300629) is (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine is CC(C)=C/C=C(\N)c1ccccc1.
What is the InChIKey of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The InChIKey is DJMJWJGKUBIUIT-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H15N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-9H,13H2,1-2H3/b12-9-.
What are the key properties of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 143300629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).