[4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol

C14H25N3O — CID 62551132

IUPAC[4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
SMILESCc1nccn1CCNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-12-3-5-14(11-18,6-4-12)16-8-10-17-9-7-15-13(17)2/h7,9,12,16,18H,3-6,8,10-11H2,1-2H3
InChIKeyOKZLYTBKZVRUNW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.72
Rot. Bonds5

About [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol

[4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol (PubChem CID 62551132) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
PubChem CID62551132
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
SMILESCc1nccn1CCNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-12-3-5-14(11-18,6-4-12)16-8-10-17-9-7-15-13(17)2/h7,9,12,16,18H,3-6,8,10-11H2,1-2H3
InChIKeyOKZLYTBKZVRUNW-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol (CID 62551132) is [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol is Cc1nccn1CCNC1(CO)CCC(C)CC1.
What is the InChIKey of [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
The InChIKey is OKZLYTBKZVRUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12-3-5-14(11-18,6-4-12)16-8-10-17-9-7-15-13(17)2/h7,9,12,16,18H,3-6,8,10-11H2,1-2H3.
What are the key properties of [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
[4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 62551132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).