4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol

C17H31N3O — CID 63026861

IUPAC4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCN(Cc1nccn1C)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C17H31N3O/c1-17(2,3)14-6-7-15(21)13(10-14)11-19(4)12-16-18-8-9-20(16)5/h8-9,13-15,21H,6-7,10-12H2,1-5H3
InChIKeyRTDUGFVBOLFVBR-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.68
Rot. Bonds4

About 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol (PubChem CID 63026861) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
PubChem CID63026861
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCN(Cc1nccn1C)CC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C17H31N3O/c1-17(2,3)14-6-7-15(21)13(10-14)11-19(4)12-16-18-8-9-20(16)5/h8-9,13-15,21H,6-7,10-12H2,1-5H3
InChIKeyRTDUGFVBOLFVBR-UHFFFAOYSA-N
XLogP2.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]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

Related Compounds

1-(1-Adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
1-(1-Adamantyl)-2-imidazol-1-yl-ethanol
CID 5276205
2,6-Bis(imidazol-1-ylmethyl)cyclohexan-1-ol
CID 44591431
(1R,2R,4aS,5R)-1-(hydroxymethyl)-5-(2-imidazol-1-ylethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 155519160
spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
CID 14391701
(1'S,8S)-spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
CID 21607733
(1'R,8R)-spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
CID 162848492
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
1-[2-(2-Hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547178
cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
CID 155057396
(5',7'-Dihydrospiro[cyclohexane-1,6'-pyrrolo-[1,2-a]imidazol]-3-yl)methanol
CID 134691343

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol (CID 63026861) is 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol is CN(Cc1nccn1C)CC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RTDUGFVBOLFVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-17(2,3)14-6-7-15(21)13(10-14)11-19(4)12-16-18-8-9-20(16)5/h8-9,13-15,21H,6-7,10-12H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63026861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).