3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine

C13H23N3O — CID 114229302

IUPAC3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESCOC(C)(C)c1cnc(C2CCCC(N)C2)[nH]1
InChIInChI=1S/C13H23N3O/c1-13(2,17-3)11-8-15-12(16-11)9-5-4-6-10(14)7-9/h8-10H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyCOILWGLYELRQAJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.28
Rot. Bonds3

About 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine

3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 114229302) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID114229302
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESCOC(C)(C)c1cnc(C2CCCC(N)C2)[nH]1
InChIInChI=1S/C13H23N3O/c1-13(2,17-3)11-8-15-12(16-11)9-5-4-6-10(14)7-9/h8-10H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyCOILWGLYELRQAJ-UHFFFAOYSA-N
XLogP2.28
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046647
3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 55147512
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63047168
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046992
3-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]cyclohexan-1-amine
CID 82237881
4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 168724950
3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046479
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexan-1-amine
CID 63722980
3-(6-methyl-3-pyridinyl)cyclohexan-1-amine
CID 64503423
4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine
CID 84781853

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 114229302) is 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine is COC(C)(C)c1cnc(C2CCCC(N)C2)[nH]1.
What is the InChIKey of 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is COILWGLYELRQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,17-3)11-8-15-12(16-11)9-5-4-6-10(14)7-9/h8-10H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxypropan-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 114229302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).