3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine

C15H27N3 — CID 107444389

IUPAC3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
SMILESCC1CCC(n2cncc2C(CN)C(C)C)CC1
InChIInChI=1S/C15H27N3/c1-11(2)14(8-16)15-9-17-10-18(15)13-6-4-12(3)5-7-13/h9-14H,4-8,16H2,1-3H3
InChIKeyXLSQSNDRJHCPJS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine

3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine (PubChem CID 107444389) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
PubChem CID107444389
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
SMILESCC1CCC(n2cncc2C(CN)C(C)C)CC1
InChIInChI=1S/C15H27N3/c1-11(2)14(8-16)15-9-17-10-18(15)13-6-4-12(3)5-7-13/h9-14H,4-8,16H2,1-3H3
InChIKeyXLSQSNDRJHCPJS-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine
CID 107444106
2-methyl-1-[3-(4-methylcyclohexyl)imidazol-4-yl]propan-1-amine
CID 102969473
4-amino-3-(3-cyclopropylimidazol-4-yl)pentan-1-ol
CID 66140672
(1R)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 104943974
(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 104943969
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 66140417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine (CID 107444389) is 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine is CC1CCC(n2cncc2C(CN)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine?
The InChIKey is XLSQSNDRJHCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)14(8-16)15-9-17-10-18(15)13-6-4-12(3)5-7-13/h9-14H,4-8,16H2,1-3H3.
What are the key properties of 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 107444389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).