4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine

C12H23N — CID 164659630

IUPAC4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCC1(N)CCC(C)CC1
InChIInChI=1S/C12H23N/c1-10(2)4-7-12(13)8-5-11(3)6-9-12/h4,11H,5-9,13H2,1-3H3
InChIKeyURGMOKNCBDDIAO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.25
Rot. Bonds2

About 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine

4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 164659630) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID164659630
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCC1(N)CCC(C)CC1
InChIInChI=1S/C12H23N/c1-10(2)4-7-12(13)8-5-11(3)6-9-12/h4,11H,5-9,13H2,1-3H3
InChIKeyURGMOKNCBDDIAO-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

2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
CID 130743601
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
5-methyl-1-prop-2-enylcyclooctan-1-amine
CID 143705620
(1-amino-3-methylcyclopentyl)methanol
CID 64516223
1-(2-fluoroethyl)-4-methylcyclohexan-1-amine
CID 130515363
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
CID 130515255
4-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62619918
1-(iodomethyl)-4-methylcyclohexan-1-ol
CID 114775211
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 164659630) is 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine is CC(C)=CCC1(N)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is URGMOKNCBDDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)4-7-12(13)8-5-11(3)6-9-12/h4,11H,5-9,13H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine?
4-methyl-1-(3-methylbut-2-enyl)cyclohexan-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 4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 164659630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).