[(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride

C7H16ClNO — CID 2724652

IUPAC[(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride
SMILESCl.N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C7H15NO.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7,9H,1-5,8H2;1H/t6-,7-;/m0./s1
InChIKeyORPKUPNVXFLMRG-LEUCUCNGSA-N
MW165.66 g/mol
LogP0.92
Rot. Bonds1

About [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride

[(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride (PubChem CID 2724652) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride
PubChem CID2724652
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name[(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride
SMILESCl.N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C7H15NO.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7,9H,1-5,8H2;1H/t6-,7-;/m0./s1
InChIKeyORPKUPNVXFLMRG-LEUCUCNGSA-N
XLogP0.92
TPSA46.25 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride?
The IUPAC name of [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride (CID 2724652) is [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride?
The canonical SMILES for [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride is Cl.N[C@H]1CCCC[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride?
The InChIKey is ORPKUPNVXFLMRG-LEUCUCNGSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7,9H,1-5,8H2;1H/t6-,7-;/m0./s1.
What are the key properties of [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride?
[(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 2724652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).