[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine

C12H23N — CID 130646430

IUPAC[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine
SMILESCC(C)C(C)C1(CN)CC=CCC1
InChIInChI=1S/C12H23N/c1-10(2)11(3)12(9-13)7-5-4-6-8-12/h4-5,10-11H,6-9,13H2,1-3H3
InChIKeyOVBFVGMTIAJMBX-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.96
Rot. Bonds3

About [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine

[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine (PubChem CID 130646430) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine
PubChem CID130646430
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine
SMILESCC(C)C(C)C1(CN)CC=CCC1
InChIInChI=1S/C12H23N/c1-10(2)11(3)12(9-13)7-5-4-6-8-12/h4-5,10-11H,6-9,13H2,1-3H3
InChIKeyOVBFVGMTIAJMBX-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
Exo-5-aminomethyl-endo-5-methylbicyclo[2.2.1]hept-2-ene
CID 18622248
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
(1-Methylcyclohex-2-en-1-yl)methanamine hydrochloride
CID 132371596
(1-Methylcyclohex-3-en-1-yl)methanamine hydrochloride
CID 137945415
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
2-Cyclohex-2-en-1-ylethanamine
CID 21432851
gamma,4-Dimethylcyclohexene-1-propan-1-amine
CID 13574688
(1-Methylcyclohex-3-en-1-yl)methanamine
CID 83694188
1-(1-Methylcyclohex-2-en-1-yl)methanamine
CID 132371597
(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine
CID 135244556
2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine
CID 139323749

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine?
The IUPAC name of [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine (CID 130646430) is [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine?
The canonical SMILES for [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine is CC(C)C(C)C1(CN)CC=CCC1.
What is the InChIKey of [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine?
The InChIKey is OVBFVGMTIAJMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11(3)12(9-13)7-5-4-6-8-12/h4-5,10-11H,6-9,13H2,1-3H3.
What are the key properties of [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine?
[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 130646430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).