5-ethyl-5-methylcyclohexa-1,3-dien-1-amine

C9H15N — CID 67747474

IUPAC5-ethyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCCC1(C)C=CC=C(N)C1
InChIInChI=1S/C9H15N/c1-3-9(2)6-4-5-8(10)7-9/h4-6H,3,7,10H2,1-2H3
InChIKeyQFMBEYHYFCUPQM-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.21
Rot. Bonds1

About 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine

5-ethyl-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 67747474) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-ethyl-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID67747474
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCCC1(C)C=CC=C(N)C1
InChIInChI=1S/C9H15N/c1-3-9(2)6-4-5-8(10)7-9/h4-6H,3,7,10H2,1-2H3
InChIKeyQFMBEYHYFCUPQM-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-5-methylcyclohexa-1,3-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 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine (CID 67747474) is 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine is CCC1(C)C=CC=C(N)C1.
What is the InChIKey of 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is QFMBEYHYFCUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(2)6-4-5-8(10)7-9/h4-6H,3,7,10H2,1-2H3.
What are the key properties of 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine?
5-ethyl-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67747474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).