4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine

C23H39N — CID 137428042

IUPAC4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine
SMILESC=CN(C)C(=C)CC(C/C=C1\CC(C)(C)C(CC)=C1CC)CCC
InChIInChI=1S/C23H39N/c1-9-13-19(16-18(5)24(8)12-4)14-15-20-17-23(6,7)22(11-3)21(20)10-2/h12,15,19H,4-5,9-11,13-14,16-17H2,1-3,6-8H3/b20-15+
InChIKeyMOAPRLQDIYUKDF-HMMYKYKNSA-N
MW329.57 g/mol
LogP7.24
Rot. Bonds10

About 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine

4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine (PubChem CID 137428042) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine.

Molecular Properties

Compound Name4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine
PubChem CID137428042
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine
SMILESC=CN(C)C(=C)CC(C/C=C1\CC(C)(C)C(CC)=C1CC)CCC
InChIInChI=1S/C23H39N/c1-9-13-19(16-18(5)24(8)12-4)14-15-20-17-23(6,7)22(11-3)21(20)10-2/h12,15,19H,4-5,9-11,13-14,16-17H2,1-3,6-8H3/b20-15+
InChIKeyMOAPRLQDIYUKDF-HMMYKYKNSA-N
XLogP7.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-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 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine?
The IUPAC name of 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine (CID 137428042) is 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine.
What is the SMILES notation for 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine?
The canonical SMILES for 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine is C=CN(C)C(=C)CC(C/C=C1\CC(C)(C)C(CC)=C1CC)CCC.
What is the InChIKey of 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine?
The InChIKey is MOAPRLQDIYUKDF-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H39N/c1-9-13-19(16-18(5)24(8)12-4)14-15-20-17-23(6,7)22(11-3)21(20)10-2/h12,15,19H,4-5,9-11,13-14,16-17H2,1-3,6-8H3/b20-15+.
What are the key properties of 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine?
4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine has a molecular weight of 329.57 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(2,3-diethyl-4,4-dimethylcyclopent-2-en-1-ylidene)ethyl]-N-ethenyl-N-methylhept-1-en-2-amine is sourced from PubChem (CID 137428042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).