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

C14H25N3O — CID 63026697

IUPAC4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C14H25N3O/c1-11-4-5-13(18)12(8-11)9-16(2)10-14-15-6-7-17(14)3/h6-7,11-13,18H,4-5,8-10H2,1-3H3
InChIKeySTCOLTHCYHEOFZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.65
Rot. Bonds4

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

4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol (PubChem CID 63026697) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
PubChem CID63026697
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C14H25N3O/c1-11-4-5-13(18)12(8-11)9-16(2)10-14-15-6-7-17(14)3/h6-7,11-13,18H,4-5,8-10H2,1-3H3
InChIKeySTCOLTHCYHEOFZ-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol (CID 63026697) is 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol is CC1CCC(O)C(CN(C)Cc2nccn2C)C1.
What is the InChIKey of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is STCOLTHCYHEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-4-5-13(18)12(8-11)9-16(2)10-14-15-6-7-17(14)3/h6-7,11-13,18H,4-5,8-10H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63026697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).