1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C12H21N3O — CID 63001415

IUPAC1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ncc(CNCC2(O)CCCCC2)[nH]1
InChIInChI=1S/C12H21N3O/c1-10-14-8-11(15-10)7-13-9-12(16)5-3-2-4-6-12/h8,13,16H,2-7,9H2,1H3,(H,14,15)
InChIKeyBVHNCCNTOQBHBK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

About 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 63001415) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID63001415
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ncc(CNCC2(O)CCCCC2)[nH]1
InChIInChI=1S/C12H21N3O/c1-10-14-8-11(15-10)7-13-9-12(16)5-3-2-4-6-12/h8,13,16H,2-7,9H2,1H3,(H,14,15)
InChIKeyBVHNCCNTOQBHBK-UHFFFAOYSA-N
XLogP1.50
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-methyl-1H-imidazol-5-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 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 63001415) is 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol is Cc1ncc(CNCC2(O)CCCCC2)[nH]1.
What is the InChIKey of 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BVHNCCNTOQBHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-14-8-11(15-10)7-13-9-12(16)5-3-2-4-6-12/h8,13,16H,2-7,9H2,1H3,(H,14,15).
What are the key properties of 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63001415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).