1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine

C12H23N — CID 131097625

IUPAC1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
SMILESCC(C)(C)CCC1(N)CC=CCC1
InChIInChI=1S/C12H23N/c1-11(2,3)9-10-12(13)7-5-4-6-8-12/h4-5H,6-10,13H2,1-3H3
InChIKeyUFARKLHJVSMHNQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.25
Rot. Bonds2

About 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine

1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine (PubChem CID 131097625) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
PubChem CID131097625
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
SMILESCC(C)(C)CCC1(N)CC=CCC1
InChIInChI=1S/C12H23N/c1-11(2,3)9-10-12(13)7-5-4-6-8-12/h4-5H,6-10,13H2,1-3H3
InChIKeyUFARKLHJVSMHNQ-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.25
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

1-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 130901501
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 130944193
1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
CID 70514482
1-ethylcyclohex-3-ene-1-carboxamide
CID 66765185
1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine
CID 131036407
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine
CID 105436965
3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 114535392
4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine
CID 114209791

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine (CID 131097625) is 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine is CC(C)(C)CCC1(N)CC=CCC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine?
The InChIKey is UFARKLHJVSMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)9-10-12(13)7-5-4-6-8-12/h4-5H,6-10,13H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine?
1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 131097625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).