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

C9H19NO — CID 93298138

IUPAC(2S)-1-amino-2-cyclohexylpropan-2-ol
SMILESC[C@@](O)(CN)C1CCCCC1
InChIInChI=1S/C9H19NO/c1-9(11,7-10)8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3/t9-/m1/s1
InChIKeyMIQIIGHQMPVULC-SECBINFHSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds2

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

(2S)-1-amino-2-cyclohexylpropan-2-ol (PubChem CID 93298138) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-1-amino-2-cyclohexylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-cyclohexylpropan-2-ol
PubChem CID93298138
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-1-amino-2-cyclohexylpropan-2-ol
SMILESC[C@@](O)(CN)C1CCCCC1
InChIInChI=1S/C9H19NO/c1-9(11,7-10)8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3/t9-/m1/s1
InChIKeyMIQIIGHQMPVULC-SECBINFHSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82928815
2-cyclohexyl-2-cyclopropylpropan-1-amine
CID 83828448
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CID 116535957
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-cyclohexylpropan-2-ol?
The IUPAC name of (2S)-1-amino-2-cyclohexylpropan-2-ol (CID 93298138) is (2S)-1-amino-2-cyclohexylpropan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-cyclohexylpropan-2-ol?
The canonical SMILES for (2S)-1-amino-2-cyclohexylpropan-2-ol is C[C@@](O)(CN)C1CCCCC1.
What is the InChIKey of (2S)-1-amino-2-cyclohexylpropan-2-ol?
The InChIKey is MIQIIGHQMPVULC-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(11,7-10)8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-1-amino-2-cyclohexylpropan-2-ol?
(2S)-1-amino-2-cyclohexylpropan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-cyclohexylpropan-2-ol is sourced from PubChem (CID 93298138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).