[1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol

C13H22ClN3O — CID 114239542

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2ncc(Cl)n2C)C1
InChIInChI=1S/C13H22ClN3O/c1-9-4-3-5-13(6-9,8-15)11(18)12-16-7-10(14)17(12)2/h7,9,11,18H,3-6,8,15H2,1-2H3
InChIKeyOFEFACOTZCNRAM-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.26
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol (PubChem CID 114239542) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol
PubChem CID114239542
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2ncc(Cl)n2C)C1
InChIInChI=1S/C13H22ClN3O/c1-9-4-3-5-13(6-9,8-15)11(18)12-16-7-10(14)17(12)2/h7,9,11,18H,3-6,8,15H2,1-2H3
InChIKeyOFEFACOTZCNRAM-UHFFFAOYSA-N
XLogP2.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol (CID 114239542) is [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol is CC1CCCC(CN)(C(O)c2ncc(Cl)n2C)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The InChIKey is OFEFACOTZCNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-9-4-3-5-13(6-9,8-15)11(18)12-16-7-10(14)17(12)2/h7,9,11,18H,3-6,8,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol has a molecular weight of 271.79 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 114239542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).