[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride

C9H20ClNO — CID 53396844

IUPAC[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
SMILESCNC1(C)CCCCC1CO.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(10-2)6-4-3-5-8(9)7-11;/h8,10-11H,3-7H2,1-2H3;1H
InChIKeyXXXPITZKQGKERU-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.57
Rot. Bonds2

About [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride

[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride (PubChem CID 53396844) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
PubChem CID53396844
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
SMILESCNC1(C)CCCCC1CO.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(10-2)6-4-3-5-8(9)7-11;/h8,10-11H,3-7H2,1-2H3;1H
InChIKeyXXXPITZKQGKERU-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride?
The IUPAC name of [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride (CID 53396844) is [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride?
The canonical SMILES for [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride is CNC1(C)CCCCC1CO.Cl.
What is the InChIKey of [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride?
The InChIKey is XXXPITZKQGKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(10-2)6-4-3-5-8(9)7-11;/h8,10-11H,3-7H2,1-2H3;1H.
What are the key properties of [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride?
[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 53396844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).