N,3-dimethyl-4-penta-2,4-dienylaniline

C13H17N — CID 123329785

IUPACN,3-dimethyl-4-penta-2,4-dienylaniline
SMILESC=CC=CCc1ccc(NC)cc1C
InChIInChI=1S/C13H17N/c1-4-5-6-7-12-8-9-13(14-3)10-11(12)2/h4-6,8-10,14H,1,7H2,2-3H3
InChIKeyWPKXOSZVHJMFHF-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.32
Rot. Bonds4

About N,3-dimethyl-4-penta-2,4-dienylaniline

N,3-dimethyl-4-penta-2,4-dienylaniline (PubChem CID 123329785) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N,3-dimethyl-4-penta-2,4-dienylaniline.

Molecular Properties

Compound NameN,3-dimethyl-4-penta-2,4-dienylaniline
PubChem CID123329785
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN,3-dimethyl-4-penta-2,4-dienylaniline
SMILESC=CC=CCc1ccc(NC)cc1C
InChIInChI=1S/C13H17N/c1-4-5-6-7-12-8-9-13(14-3)10-11(12)2/h4-6,8-10,14H,1,7H2,2-3H3
InChIKeyWPKXOSZVHJMFHF-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-4-penta-2,4-dienylaniline 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 N,3-dimethyl-4-penta-2,4-dienylaniline?
The IUPAC name of N,3-dimethyl-4-penta-2,4-dienylaniline (CID 123329785) is N,3-dimethyl-4-penta-2,4-dienylaniline.
What is the SMILES notation for N,3-dimethyl-4-penta-2,4-dienylaniline?
The canonical SMILES for N,3-dimethyl-4-penta-2,4-dienylaniline is C=CC=CCc1ccc(NC)cc1C.
What is the InChIKey of N,3-dimethyl-4-penta-2,4-dienylaniline?
The InChIKey is WPKXOSZVHJMFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-5-6-7-12-8-9-13(14-3)10-11(12)2/h4-6,8-10,14H,1,7H2,2-3H3.
What are the key properties of N,3-dimethyl-4-penta-2,4-dienylaniline?
N,3-dimethyl-4-penta-2,4-dienylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-penta-2,4-dienylaniline is sourced from PubChem (CID 123329785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).