2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine

C10H17N — CID 67865646

IUPAC2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine
SMILESCC1(C)C=CC=CC1CCN
InChIInChI=1S/C10H17N/c1-10(2)7-4-3-5-9(10)6-8-11/h3-5,7,9H,6,8,11H2,1-2H3
InChIKeyVYEXYCRFTODFGS-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.10
Rot. Bonds2

About 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine

2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 67865646) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID67865646
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine
SMILESCC1(C)C=CC=CC1CCN
InChIInChI=1S/C10H17N/c1-10(2)7-4-3-5-9(10)6-8-11/h3-5,7,9H,6,8,11H2,1-2H3
InChIKeyVYEXYCRFTODFGS-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine 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-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine (CID 67865646) is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine is CC1(C)C=CC=CC1CCN.
What is the InChIKey of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is VYEXYCRFTODFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2)7-4-3-5-9(10)6-8-11/h3-5,7,9H,6,8,11H2,1-2H3.
What are the key properties of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine?
2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 67865646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).