2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine

C15H23N — CID 123441204

IUPAC2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine
SMILESCC=CC(=CC)CNCC1C=CC(C)=CC1
InChIInChI=1S/C15H23N/c1-4-6-14(5-2)11-16-12-15-9-7-13(3)8-10-15/h4-9,15-16H,10-12H2,1-3H3
InChIKeyPPYWWUVRMJQGMV-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.62
Rot. Bonds5

About 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine

2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine (PubChem CID 123441204) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine
PubChem CID123441204
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine
SMILESCC=CC(=CC)CNCC1C=CC(C)=CC1
InChIInChI=1S/C15H23N/c1-4-6-14(5-2)11-16-12-15-9-7-13(3)8-10-15/h4-9,15-16H,10-12H2,1-3H3
InChIKeyPPYWWUVRMJQGMV-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-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 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine?
The IUPAC name of 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine (CID 123441204) is 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine is CC=CC(=CC)CNCC1C=CC(C)=CC1.
What is the InChIKey of 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine?
The InChIKey is PPYWWUVRMJQGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-6-14(5-2)11-16-12-15-9-7-13(3)8-10-15/h4-9,15-16H,10-12H2,1-3H3.
What are the key properties of 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine?
2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 123441204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).