3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine

C12H23N — CID 131181781

IUPAC3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCCCC1C
InChIInChI=1S/C12H23N/c1-9(2)8-12(13)11-7-5-4-6-10(11)3/h8,10-12H,4-7,13H2,1-3H3
InChIKeyJBOZPTUHQXVKFN-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds2

About 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine

3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine (PubChem CID 131181781) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine
PubChem CID131181781
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCCCC1C
InChIInChI=1S/C12H23N/c1-9(2)8-12(13)11-7-5-4-6-10(11)3/h8,10-12H,4-7,13H2,1-3H3
InChIKeyJBOZPTUHQXVKFN-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
(E)-3-methyl-1-(2-methylcyclohexyl)pent-2-en-1-ol
CID 89387077
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
CID 105004863
1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
1-(1,1-dioxothian-2-yl)-3-methylbut-2-en-1-amine
CID 105004617
1-methyl-2-(4-methylpent-3-en-2-yl)cyclopropane
CID 123933645
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
2-amino-2-(2-methylcyclopentyl)acetic acid
CID 4308805
2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol
CID 90078523
3-amino-2-(2-methylcyclohexyl)propan-1-ol
CID 83977151
2-cyclopentyl-1-(2-methylcyclopentyl)ethanol
CID 107192189
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine (CID 131181781) is 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine is CC(C)=CC(N)C1CCCCC1C.
What is the InChIKey of 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine?
The InChIKey is JBOZPTUHQXVKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)8-12(13)11-7-5-4-6-10(11)3/h8,10-12H,4-7,13H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine?
3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine is sourced from PubChem (CID 131181781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).