2,4,4,6,6-pentamethylcyclohex-2-en-1-amine

C11H21N — CID 22630134

IUPAC2,4,4,6,6-pentamethylcyclohex-2-en-1-amine
SMILESCC1=CC(C)(C)CC(C)(C)C1N
InChIInChI=1S/C11H21N/c1-8-6-10(2,3)7-11(4,5)9(8)12/h6,9H,7,12H2,1-5H3
InChIKeyWPRZVYPBZMYRBO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds

About 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine

2,4,4,6,6-pentamethylcyclohex-2-en-1-amine (PubChem CID 22630134) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name2,4,4,6,6-pentamethylcyclohex-2-en-1-amine
PubChem CID22630134
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,4,4,6,6-pentamethylcyclohex-2-en-1-amine
SMILESCC1=CC(C)(C)CC(C)(C)C1N
InChIInChI=1S/C11H21N/c1-8-6-10(2,3)7-11(4,5)9(8)12/h6,9H,7,12H2,1-5H3
InChIKeyWPRZVYPBZMYRBO-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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'}

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Related Compounds

poly(beta-D-mannuronate) lyase
CID 168356126
4,4-Dimethylcyclohex-2-en-1-amine
CID 55290143
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
Menthenamine
CID 129691874
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
[3-Ethyl-1-(fluoromethyl)cyclohex-3-en-1-yl]methanamine
CID 163480796
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-amine;hydrochloride
CID 54603890
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-amine
CID 245838
3-Buten-2-amine, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 5365160
5-Isopropenyl-2-methyl-cyclohex-2-enylamine
CID 4137734
[1-[(E)-but-2-enyl]cyclohexyl]methanamine
CID 12910292

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine?
The IUPAC name of 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine (CID 22630134) is 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine.
What is the SMILES notation for 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine?
The canonical SMILES for 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine is CC1=CC(C)(C)CC(C)(C)C1N.
What is the InChIKey of 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine?
The InChIKey is WPRZVYPBZMYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8-6-10(2,3)7-11(4,5)9(8)12/h6,9H,7,12H2,1-5H3.
What are the key properties of 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine?
2,4,4,6,6-pentamethylcyclohex-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6-pentamethylcyclohex-2-en-1-amine is sourced from PubChem (CID 22630134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).