2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine

C11H19N — CID 70378917

IUPAC2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC=CC(C)(CC)C1N
InChIInChI=1S/C11H19N/c1-4-9-7-6-8-11(3,5-2)10(9)12/h6-8,10H,4-5,12H2,1-3H3
InChIKeyDPZASBCQMRBBRF-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds2

About 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine

2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 70378917) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID70378917
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC=CC(C)(CC)C1N
InChIInChI=1S/C11H19N/c1-4-9-7-6-8-11(3,5-2)10(9)12/h6-8,10H,4-5,12H2,1-3H3
InChIKeyDPZASBCQMRBBRF-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-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 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine (CID 70378917) is 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine is CCC1=CC=CC(C)(CC)C1N.
What is the InChIKey of 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is DPZASBCQMRBBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-9-7-6-8-11(3,5-2)10(9)12/h6-8,10H,4-5,12H2,1-3H3.
What are the key properties of 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70378917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).