2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol

C10H19N3O — CID 115645077

IUPAC2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1=NCCN1
InChIInChI=1S/C10H19N3O/c14-9-4-2-1-3-8(9)7-13-10-11-5-6-12-10/h8-9,14H,1-7H2,(H2,11,12,13)
InChIKeyZKAQLPUKCVSPPZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.09
Rot. Bonds2

About 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol

2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 115645077) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID115645077
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1=NCCN1
InChIInChI=1S/C10H19N3O/c14-9-4-2-1-3-8(9)7-13-10-11-5-6-12-10/h8-9,14H,1-7H2,(H2,11,12,13)
InChIKeyZKAQLPUKCVSPPZ-UHFFFAOYSA-N
XLogP0.09
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dihydro-1H-imidazol-2-ylamino)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-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol (CID 115645077) is 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNC1=NCCN1.
What is the InChIKey of 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is ZKAQLPUKCVSPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-9-4-2-1-3-8(9)7-13-10-11-5-6-12-10/h8-9,14H,1-7H2,(H2,11,12,13).
What are the key properties of 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol?
2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115645077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).