2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol

C15H25NO — CID 89351792

IUPAC2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol
SMILESC=CC1=CCC(C)C(CCN(C)CCO)C=C1
InChIInChI=1S/C15H25NO/c1-4-14-6-5-13(2)15(8-7-14)9-10-16(3)11-12-17/h4,6-8,13,15,17H,1,5,9-12H2,2-3H3
InChIKeyHKXZSZKNMCGOFX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol

2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol (PubChem CID 89351792) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol
PubChem CID89351792
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol
SMILESC=CC1=CCC(C)C(CCN(C)CCO)C=C1
InChIInChI=1S/C15H25NO/c1-4-14-6-5-13(2)15(8-7-14)9-10-16(3)11-12-17/h4,6-8,13,15,17H,1,5,9-12H2,2-3H3
InChIKeyHKXZSZKNMCGOFX-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol 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-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol (CID 89351792) is 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol is C=CC1=CCC(C)C(CCN(C)CCO)C=C1.
What is the InChIKey of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol?
The InChIKey is HKXZSZKNMCGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-14-6-5-13(2)15(8-7-14)9-10-16(3)11-12-17/h4,6-8,13,15,17H,1,5,9-12H2,2-3H3.
What are the key properties of 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol?
2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol has a molecular weight of 235.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenyl-7-methylcyclohepta-2,4-dien-1-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 89351792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).