6-ethyl-N-methylcyclohexa-1,5-dien-1-amine

C9H15N — CID 143115354

IUPAC6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CCCC=C1NC
InChIInChI=1S/C9H15N/c1-3-8-6-4-5-7-9(8)10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyCREPTQFKBNIKQR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.22
Rot. Bonds2

About 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine

6-ethyl-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 143115354) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID143115354
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CCCC=C1NC
InChIInChI=1S/C9H15N/c1-3-8-6-4-5-7-9(8)10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyCREPTQFKBNIKQR-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-N-methylcyclohexa-1,5-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

Related Compounds

5,6-Dihydroindole
CID 57086633
Dihydrocollidin
CID 430194
1,2,3,5-Tetrahydroquinoline
CID 20349835
Cyclohepta[1,2-b]pyridine
CID 22270306
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
CID 138525147
N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 142171966
4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
CID 142561426
4-fluoro-N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 143696817

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine (CID 143115354) is 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine is CCC1=CCCC=C1NC.
What is the InChIKey of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is CREPTQFKBNIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6-4-5-7-9(8)10-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
6-ethyl-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143115354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).