5,6-diethyl-5-methylcyclohex-3-en-1-amine

C11H21N — CID 54262479

IUPAC5,6-diethyl-5-methylcyclohex-3-en-1-amine
SMILESCCC1C(N)CC=CC1(C)CC
InChIInChI=1S/C11H21N/c1-4-9-10(12)7-6-8-11(9,3)5-2/h6,8-10H,4-5,7,12H2,1-3H3
InChIKeyREMBGGHKGGVREI-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds2

About 5,6-diethyl-5-methylcyclohex-3-en-1-amine

5,6-diethyl-5-methylcyclohex-3-en-1-amine (PubChem CID 54262479) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5,6-diethyl-5-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5,6-diethyl-5-methylcyclohex-3-en-1-amine
PubChem CID54262479
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5,6-diethyl-5-methylcyclohex-3-en-1-amine
SMILESCCC1C(N)CC=CC1(C)CC
InChIInChI=1S/C11H21N/c1-4-9-10(12)7-6-8-11(9,3)5-2/h6,8-10H,4-5,7,12H2,1-3H3
InChIKeyREMBGGHKGGVREI-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,6-diethyl-5-methylcyclohex-3-en-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

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
Ethylamine, 2-(2-cyclopentenyl)-1-methyl-
CID 49663
poly(beta-D-mannuronate) lyase
CID 168356126
4,4-Dimethylcyclohex-2-en-1-amine
CID 55290143
(1-Methylcyclohex-3-en-1-yl)methanamine hydrochloride
CID 137945415
2-Cyclohex-2-en-1-ylethanamine
CID 21432851
1-Methyl-amphetamine
CID 69085976
Menthenamine
CID 129691874
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
2-Naphthalenamine, 1,2,4a,5,6,7,8,8a-octahydro-4a-methyl-
CID 572962
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
CID 71008416
(1-Methylcyclohex-3-en-1-yl)methanamine
CID 83694188

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-5-methylcyclohex-3-en-1-amine?
The IUPAC name of 5,6-diethyl-5-methylcyclohex-3-en-1-amine (CID 54262479) is 5,6-diethyl-5-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 5,6-diethyl-5-methylcyclohex-3-en-1-amine?
The canonical SMILES for 5,6-diethyl-5-methylcyclohex-3-en-1-amine is CCC1C(N)CC=CC1(C)CC.
What is the InChIKey of 5,6-diethyl-5-methylcyclohex-3-en-1-amine?
The InChIKey is REMBGGHKGGVREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-9-10(12)7-6-8-11(9,3)5-2/h6,8-10H,4-5,7,12H2,1-3H3.
What are the key properties of 5,6-diethyl-5-methylcyclohex-3-en-1-amine?
5,6-diethyl-5-methylcyclohex-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-5-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 54262479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).