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

C12H21N3O — CID 64983081

IUPAC2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cncc1CNCC1CCCCC1O
InChIInChI=1S/C12H21N3O/c1-15-9-14-8-11(15)7-13-6-10-4-2-3-5-12(10)16/h8-10,12-13,16H,2-7H2,1H3
InChIKeyPMJGKUPTKSVSKA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds4

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

2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64983081) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64983081
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cncc1CNCC1CCCCC1O
InChIInChI=1S/C12H21N3O/c1-15-9-14-8-11(15)7-13-6-10-4-2-3-5-12(10)16/h8-10,12-13,16H,2-7H2,1H3
InChIKeyPMJGKUPTKSVSKA-UHFFFAOYSA-N
XLogP1.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 64983081) is 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cn1cncc1CNCC1CCCCC1O.
What is the InChIKey of 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is PMJGKUPTKSVSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-14-8-11(15)7-13-6-10-4-2-3-5-12(10)16/h8-10,12-13,16H,2-7H2,1H3.
What are the key properties of 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64983081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).