2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C14H23N3O — CID 66141203

IUPAC2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cncn1C1CC1
InChIInChI=1S/C14H23N3O/c18-14-4-2-1-3-11(14)7-15-8-13-9-16-10-17(13)12-5-6-12/h9-12,14-15,18H,1-8H2
InChIKeyZPEYGJROXCRQOT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.86
Rot. Bonds5

About 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 66141203) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID66141203
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cncn1C1CC1
InChIInChI=1S/C14H23N3O/c18-14-4-2-1-3-11(14)7-15-8-13-9-16-10-17(13)12-5-6-12/h9-12,14-15,18H,1-8H2
InChIKeyZPEYGJROXCRQOT-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 66141203) is 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1cncn1C1CC1.
What is the InChIKey of 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZPEYGJROXCRQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-14-4-2-1-3-11(14)7-15-8-13-9-16-10-17(13)12-5-6-12/h9-12,14-15,18H,1-8H2.
What are the key properties of 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 66141203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).