4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 106126176

IUPAC4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1ccnc1CNCC1CCC(O)CC1
InChIInChI=1S/C13H23N3O/c1-2-16-8-7-15-13(16)10-14-9-11-3-5-12(17)6-4-11/h7-8,11-12,14,17H,2-6,9-10H2,1H3
InChIKeyPJLLGFAVLUBRGR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.54
Rot. Bonds5

About 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126176) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106126176
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1ccnc1CNCC1CCC(O)CC1
InChIInChI=1S/C13H23N3O/c1-2-16-8-7-15-13(16)10-14-9-11-3-5-12(17)6-4-11/h7-8,11-12,14,17H,2-6,9-10H2,1H3
InChIKeyPJLLGFAVLUBRGR-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-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 62351902
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-cyclopentyloxy-1-(1-ethylimidazol-2-yl)methanamine
CID 83229115
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 55153468
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
CID 24715482
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 106126176) is 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol is CCn1ccnc1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is PJLLGFAVLUBRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-8-7-15-13(16)10-14-9-11-3-5-12(17)6-4-11/h7-8,11-12,14,17H,2-6,9-10H2,1H3.
What are the key properties of 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(1-ethylimidazol-2-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 4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).