(1S)-2-amino-1-cyclohexylethanol

C8H17NO — CID 51652315

IUPAC(1S)-2-amino-1-cyclohexylethanol
SMILESNC[C@@H](O)C1CCCCC1
InChIInChI=1S/C8H17NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2/t8-/m1/s1
InChIKeyMSIAFRBGOYFCND-MRVPVSSYSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds2

About (1S)-2-amino-1-cyclohexylethanol

(1S)-2-amino-1-cyclohexylethanol (PubChem CID 51652315) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1S)-2-amino-1-cyclohexylethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-cyclohexylethanol
PubChem CID51652315
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1S)-2-amino-1-cyclohexylethanol
SMILESNC[C@@H](O)C1CCCCC1
InChIInChI=1S/C8H17NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2/t8-/m1/s1
InChIKeyMSIAFRBGOYFCND-MRVPVSSYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-cyclohexylethanol?
The IUPAC name of (1S)-2-amino-1-cyclohexylethanol (CID 51652315) is (1S)-2-amino-1-cyclohexylethanol.
What is the SMILES notation for (1S)-2-amino-1-cyclohexylethanol?
The canonical SMILES for (1S)-2-amino-1-cyclohexylethanol is NC[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-2-amino-1-cyclohexylethanol?
The InChIKey is MSIAFRBGOYFCND-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-cyclohexylethanol?
(1S)-2-amino-1-cyclohexylethanol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-cyclohexylethanol is sourced from PubChem (CID 51652315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).