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

C15H27N3O — CID 63026698

IUPAC4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C15H27N3O/c1-4-12-5-6-14(19)13(9-12)10-17(2)11-15-16-7-8-18(15)3/h7-8,12-14,19H,4-6,9-11H2,1-3H3
InChIKeyWHCAMKZWKZNSRC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.04
Rot. Bonds5

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

4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol (PubChem CID 63026698) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
PubChem CID63026698
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C15H27N3O/c1-4-12-5-6-14(19)13(9-12)10-17(2)11-15-16-7-8-18(15)3/h7-8,12-14,19H,4-6,9-11H2,1-3H3
InChIKeyWHCAMKZWKZNSRC-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol (CID 63026698) is 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN(C)Cc2nccn2C)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is WHCAMKZWKZNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-12-5-6-14(19)13(9-12)10-17(2)11-15-16-7-8-18(15)3/h7-8,12-14,19H,4-6,9-11H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63026698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).