5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine

C14H27N — CID 65177413

IUPAC5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine
SMILESCCCC(C)CC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-5-6-11(2)7-12-8-13(15)10-14(3,4)9-12/h8,11,13H,5-7,9-10,15H2,1-4H3
InChIKeyJSNFCIAOGJOGNF-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.89
Rot. Bonds4

About 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine

5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine (PubChem CID 65177413) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine
PubChem CID65177413
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine
SMILESCCCC(C)CC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-5-6-11(2)7-12-8-13(15)10-14(3,4)9-12/h8,11,13H,5-7,9-10,15H2,1-4H3
InChIKeyJSNFCIAOGJOGNF-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.89
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

3-(2-methylpentyl)cyclopent-2-en-1-amine
CID 65174464
3-(2-ethylsulfonylethyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 106732401
3-(2-methylpentyl)cyclopent-2-en-1-ol
CID 65174593
3-(3-ethylsulfonylpropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177248
3-but-3-ynyl-5,5-dimethylcyclohex-2-en-1-amine
CID 65177086
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65177245
3-(2-methylpentyl)cyclohept-2-en-1-ol
CID 107383651
3-[(4-tert-butylphenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65177028
5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 65177525
3-(2-bicyclo[2.2.1]heptanylmethyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 79551155
1-(2-methylheptyl)cyclopropene
CID 22621699
3-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 103041671

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine (CID 65177413) is 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine is CCCC(C)CC1=CC(N)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine?
The InChIKey is JSNFCIAOGJOGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-11(2)7-12-8-13(15)10-14(3,4)9-12/h8,11,13H,5-7,9-10,15H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylpentyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 65177413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).