4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine

C12H23N — CID 129152420

IUPAC4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(NC1CCC(C)CC1)C(C)C
InChIInChI=1S/C12H23N/c1-9(2)11(4)13-12-7-5-10(3)6-8-12/h9-10,12-13H,4-8H2,1-3H3
InChIKeyIBEKJXYXMITNII-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.32
Rot. Bonds3

About 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine

4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine (PubChem CID 129152420) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
PubChem CID129152420
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(NC1CCC(C)CC1)C(C)C
InChIInChI=1S/C12H23N/c1-9(2)11(4)13-12-7-5-10(3)6-8-12/h9-10,12-13H,4-8H2,1-3H3
InChIKeyIBEKJXYXMITNII-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
3-fluoro-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 178017829
(2R)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-3-methylbutan-2-amine
CID 165088400
N-but-1-en-2-ylcyclohexanamine
CID 12705416
N-(2-ethylhexyl)cyclohexen-1-amine
CID 20487841
N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 20647300
N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 21334595
N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 21334596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine (CID 129152420) is 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine is C=C(NC1CCC(C)CC1)C(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
The InChIKey is IBEKJXYXMITNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11(4)13-12-7-5-10(3)6-8-12/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine?
4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 129152420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).