(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride

C9H20ClNO — CID 126622776

IUPAC(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
SMILESC[C@H](N)C(O)C1CCCCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h7-9,11H,2-6,10H2,1H3;1H/t7-,9?;/m0./s1
InChIKeyRATLWPIOOQKQED-MCNHTDSKSA-N
MW193.72 g/mol
LogP1.70
Rot. Bonds2

About (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride

(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride (PubChem CID 126622776) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
PubChem CID126622776
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
SMILESC[C@H](N)C(O)C1CCCCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h7-9,11H,2-6,10H2,1H3;1H/t7-,9?;/m0./s1
InChIKeyRATLWPIOOQKQED-MCNHTDSKSA-N
XLogP1.70
TPSA46.25 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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115347541
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CID 103459295
1-cyclohexylpropane-1,2-diamine
CID 20574714
2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
CID 24837070
3-cyclododecylbutan-2-ol
CID 10444334
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753
1-cyclohexyl-2,2-difluoroethanol;hydrochloride
CID 162337180
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87862322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride (CID 126622776) is (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride is C[C@H](N)C(O)C1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride?
The InChIKey is RATLWPIOOQKQED-MCNHTDSKSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h7-9,11H,2-6,10H2,1H3;1H/t7-,9?;/m0./s1.
What are the key properties of (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride?
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride is sourced from PubChem (CID 126622776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).