N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine

C14H25N3 — CID 114204550

IUPACN-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CCC(n2cnc(CNC(C)C)c2)CC1
InChIInChI=1S/C14H25N3/c1-11(2)15-8-13-9-17(10-16-13)14-6-4-12(3)5-7-14/h9-12,14-15H,4-8H2,1-3H3
InChIKeyAUCNMCRHLFYXMF-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.13
Rot. Bonds4

About N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine

N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114204550) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID114204550
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC1CCC(n2cnc(CNC(C)C)c2)CC1
InChIInChI=1S/C14H25N3/c1-11(2)15-8-13-9-17(10-16-13)14-6-4-12(3)5-7-14/h9-12,14-15H,4-8H2,1-3H3
InChIKeyAUCNMCRHLFYXMF-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylimidazol-4-yl)propan-2-amine
CID 83883478
(1-cyclopropylimidazol-4-yl)methanol
CID 126974076
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719465
(1-cyclopentylimidazol-4-yl)methanol
CID 130482080
2-methyl-N-[[1-(oxolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 106720066
4-ethyl-1-(4-fluorocyclohexyl)imidazole
CID 168900429
2-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
CID 71225120
N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286089
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
(2R)-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 71222838
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107378954

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine (CID 114204550) is N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is CC1CCC(n2cnc(CNC(C)C)c2)CC1.
What is the InChIKey of N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is AUCNMCRHLFYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)15-8-13-9-17(10-16-13)14-6-4-12(3)5-7-14/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 235.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114204550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).