2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C15H27N3O — CID 56857963

IUPAC2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCC1CCC(CN(CCO)Cc2nccn2C)CC1
InChIInChI=1S/C15H27N3O/c1-13-3-5-14(6-4-13)11-18(9-10-19)12-15-16-7-8-17(15)2/h7-8,13-14,19H,3-6,9-12H2,1-2H3
InChIKeyUQPWCWJBXQROGE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.04
Rot. Bonds6

About 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 56857963) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID56857963
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCC1CCC(CN(CCO)Cc2nccn2C)CC1
InChIInChI=1S/C15H27N3O/c1-13-3-5-14(6-4-13)11-18(9-10-19)12-15-16-7-8-17(15)2/h7-8,13-14,19H,3-6,9-12H2,1-2H3
InChIKeyUQPWCWJBXQROGE-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217
2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
CID 91842946
3-[2,2-dimethylpropyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 111107299
2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 91759618
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63025830
2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 115882343
2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131928849
N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 56857963) is 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is CC1CCC(CN(CCO)Cc2nccn2C)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is UQPWCWJBXQROGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13-3-5-14(6-4-13)11-18(9-10-19)12-15-16-7-8-17(15)2/h7-8,13-14,19H,3-6,9-12H2,1-2H3.
What are the key properties of 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 56857963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).