1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine

C15H24N2 — CID 126707751

IUPAC1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine
SMILESC=CNC1C(=C)N(/C(C(=C)C)=C(/C)CC)C1C
InChIInChI=1S/C15H24N2/c1-8-11(5)15(10(3)4)17-12(6)14(13(17)7)16-9-2/h9,13-14,16H,2-3,6,8H2,1,4-5,7H3/b15-11-
InChIKeyLCORDDXXMIRHDC-PTNGSMBKSA-N
MW232.37 g/mol
LogP3.57
Rot. Bonds5

About 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine

1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine (PubChem CID 126707751) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine.

Molecular Properties

Compound Name1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine
PubChem CID126707751
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine
SMILESC=CNC1C(=C)N(/C(C(=C)C)=C(/C)CC)C1C
InChIInChI=1S/C15H24N2/c1-8-11(5)15(10(3)4)17-12(6)14(13(17)7)16-9-2/h9,13-14,16H,2-3,6,8H2,1,4-5,7H3/b15-11-
InChIKeyLCORDDXXMIRHDC-PTNGSMBKSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-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 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine?
The IUPAC name of 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine (CID 126707751) is 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine.
What is the SMILES notation for 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine?
The canonical SMILES for 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine is C=CNC1C(=C)N(/C(C(=C)C)=C(/C)CC)C1C.
What is the InChIKey of 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine?
The InChIKey is LCORDDXXMIRHDC-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H24N2/c1-8-11(5)15(10(3)4)17-12(6)14(13(17)7)16-9-2/h9,13-14,16H,2-3,6,8H2,1,4-5,7H3/b15-11-.
What are the key properties of 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine?
1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-2,4-dimethylhexa-1,3-dien-3-yl]-N-ethenyl-2-methyl-4-methylideneazetidin-3-amine is sourced from PubChem (CID 126707751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).