1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine

C12H23N — CID 131000668

IUPAC1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine
SMILESCCC(C)C(C)C1(N)CC=CCC1
InChIInChI=1S/C12H23N/c1-4-10(2)11(3)12(13)8-6-5-7-9-12/h5-6,10-11H,4,7-9,13H2,1-3H3
InChIKeyKWDFKPHLEMDCFY-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds3

About 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine

1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine (PubChem CID 131000668) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine
PubChem CID131000668
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine
SMILESCCC(C)C(C)C1(N)CC=CCC1
InChIInChI=1S/C12H23N/c1-4-10(2)11(3)12(13)8-6-5-7-9-12/h5-6,10-11H,4,7-9,13H2,1-3H3
InChIKeyKWDFKPHLEMDCFY-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.11
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-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine
CID 130646430
4-ethyl-4-propan-2-ylcyclohexene
CID 23385010
4,4-diethoxycyclohexene
CID 157062589
1-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 130901501
1-(2-methylpentan-3-yl)cyclohex-3-ene-1-carbaldehyde
CID 141309189
(1-ethylcyclohex-3-en-1-yl)methyl N-propan-2-ylcarbamate
CID 173442023
4-butan-2-yl-4-propylcycloheptene
CID 91107019
1-(3-methylpentan-2-yl)cyclopropane-1-carbaldehyde
CID 131226445
1-ethylcyclohex-3-ene-1-carboxamide
CID 66765185
1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
CID 131097625
1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 140939281
(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
CID 143371902

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine (CID 131000668) is 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine is CCC(C)C(C)C1(N)CC=CCC1.
What is the InChIKey of 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is KWDFKPHLEMDCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10(2)11(3)12(13)8-6-5-7-9-12/h5-6,10-11H,4,7-9,13H2,1-3H3.
What are the key properties of 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine?
1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 131000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).