N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine

C15H27N3 — CID 66152248

IUPACN-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CC(C)CC(n2cncc2CNC(C)C)C1
InChIInChI=1S/C15H27N3/c1-11(2)17-9-15-8-16-10-18(15)14-6-12(3)5-13(4)7-14/h8,10-14,17H,5-7,9H2,1-4H3
InChIKeyFKMVVEWPXJNTCJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds4

About N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66152248) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66152248
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CC(C)CC(n2cncc2CNC(C)C)C1
InChIInChI=1S/C15H27N3/c1-11(2)17-9-15-8-16-10-18(15)14-6-12(3)5-13(4)7-14/h8,10-14,17H,5-7,9H2,1-4H3
InChIKeyFKMVVEWPXJNTCJ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150176
N-[[3-(2-methylcyclopentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151196
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146727
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
(1R)-1-[3-(3-methylcyclobutyl)imidazol-4-yl]ethanamine
CID 104943894
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 66141599
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (CID 66152248) is N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is CC1CC(C)CC(n2cncc2CNC(C)C)C1.
What is the InChIKey of N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is FKMVVEWPXJNTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)17-9-15-8-16-10-18(15)14-6-12(3)5-13(4)7-14/h8,10-14,17H,5-7,9H2,1-4H3.
What are the key properties of N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66152248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).