3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 106123181

IUPAC3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1cncc1CNCC1CCCC(O)C1
InChIInChI=1S/C13H23N3O/c1-2-16-10-15-9-12(16)8-14-7-11-4-3-5-13(17)6-11/h9-11,13-14,17H,2-8H2,1H3
InChIKeyKESSHGFVTBZAIB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.54
Rot. Bonds5

About 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106123181) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106123181
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1cncc1CNCC1CCCC(O)C1
InChIInChI=1S/C13H23N3O/c1-2-16-10-15-9-12(16)8-14-7-11-4-3-5-13(17)6-11/h9-11,13-14,17H,2-8H2,1H3
InChIKeyKESSHGFVTBZAIB-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
CID 106008076
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 66135493
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
N-[(3-ethylimidazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83007196
N-[(3-ethylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 66133618
3-[[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 111467589
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132006
3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106124531

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 106123181) is 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is CCn1cncc1CNCC1CCCC(O)C1.
What is the InChIKey of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KESSHGFVTBZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-10-15-9-12(16)8-14-7-11-4-3-5-13(17)6-11/h9-11,13-14,17H,2-8H2,1H3.
What are the key properties of 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106123181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).