N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine

C15H21N — CID 88928037

IUPACN-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine
SMILESC=C=C(C)N(C=C)C/C=C/C1CC=CCC1
InChIInChI=1S/C15H21N/c1-4-14(3)16(5-2)13-9-12-15-10-7-6-8-11-15/h5-7,9,12,15H,1-2,8,10-11,13H2,3H3/b12-9+
InChIKeyILRJYFXGZKQRIK-FMIVXFBMSA-N
MW215.34 g/mol
LogP4.03
Rot. Bonds5

About N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine

N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine (PubChem CID 88928037) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine.

Molecular Properties

Compound NameN-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine
PubChem CID88928037
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine
SMILESC=C=C(C)N(C=C)C/C=C/C1CC=CCC1
InChIInChI=1S/C15H21N/c1-4-14(3)16(5-2)13-9-12-15-10-7-6-8-11-15/h5-7,9,12,15H,1-2,8,10-11,13H2,3H3/b12-9+
InChIKeyILRJYFXGZKQRIK-FMIVXFBMSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-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 N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine?
The IUPAC name of N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine (CID 88928037) is N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine.
What is the SMILES notation for N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine?
The canonical SMILES for N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine is C=C=C(C)N(C=C)C/C=C/C1CC=CCC1.
What is the InChIKey of N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine?
The InChIKey is ILRJYFXGZKQRIK-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H21N/c1-4-14(3)16(5-2)13-9-12-15-10-7-6-8-11-15/h5-7,9,12,15H,1-2,8,10-11,13H2,3H3/b12-9+.
What are the key properties of N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine?
N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine has a molecular weight of 215.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]-N-ethenylbuta-2,3-dien-2-amine is sourced from PubChem (CID 88928037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).