3-(methylamino)cyclohexan-1-ol;hydrochloride

C7H16ClNO — CID 138108510

IUPAC3-(methylamino)cyclohexan-1-ol;hydrochloride
SMILESCNC1CCCC(O)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-6-3-2-4-7(9)5-6;/h6-9H,2-5H2,1H3;1H
InChIKeyZQRLUNHNWJYPLG-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds1

About 3-(methylamino)cyclohexan-1-ol;hydrochloride

3-(methylamino)cyclohexan-1-ol;hydrochloride (PubChem CID 138108510) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 3-(methylamino)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)cyclohexan-1-ol;hydrochloride
PubChem CID138108510
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name3-(methylamino)cyclohexan-1-ol;hydrochloride
SMILESCNC1CCCC(O)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-6-3-2-4-7(9)5-6;/h6-9H,2-5H2,1H3;1H
InChIKeyZQRLUNHNWJYPLG-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 3-(methylamino)cyclohexan-1-ol;hydrochloride (CID 138108510) is 3-(methylamino)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 3-(methylamino)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 3-(methylamino)cyclohexan-1-ol;hydrochloride is CNC1CCCC(O)C1.Cl.
What is the InChIKey of 3-(methylamino)cyclohexan-1-ol;hydrochloride?
The InChIKey is ZQRLUNHNWJYPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-8-6-3-2-4-7(9)5-6;/h6-9H,2-5H2,1H3;1H.
What are the key properties of 3-(methylamino)cyclohexan-1-ol;hydrochloride?
3-(methylamino)cyclohexan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 138108510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).