cis-(1S,2R)-2-aminocyclohexan-1-ol

C6H13NO — CID 2724651

IUPACcis-(1S,2R)-2-aminocyclohexan-1-ol
SMILESN[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
InChIKeyPQMCFTMVQORYJC-RITPCOANSA-N
MW115.18 g/mol
LogP0.25
Rot. Bonds

About cis-(1S,2R)-2-aminocyclohexan-1-ol

cis-(1S,2R)-2-aminocyclohexan-1-ol (PubChem CID 2724651) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-aminocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-aminocyclohexan-1-ol
PubChem CID2724651
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecis-(1S,2R)-2-aminocyclohexan-1-ol
SMILESN[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
InChIKeyPQMCFTMVQORYJC-RITPCOANSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminocyclohexanol
CID 81293
2-Aminocyclohexanol
CID 23286
Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)-
CID 12228412
2-Amino-3-hexanol
CID 25869
(2S)-2-Amino-1-hexanol
CID 5494388
(1s,4s)-4-Aminocyclohexan-1-ol hydrochloride
CID 522619
(1R,2r,3S)-2-aminocyclohexane-1,3-diol
CID 13375420
(1R,2R)-2-Aminocyclohexanol
CID 735777
DL-2-Amino-1-hexanol
CID 249006
(1S,2S)-2-aminocyclohexanol
CID 7057408
(1S,2R)-2-aminocyclohexan-1-ol hydrochloride
CID 17039400
(2R)-2-aminohexan-1-ol
CID 6994402

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-aminocyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-aminocyclohexan-1-ol (CID 2724651) is cis-(1S,2R)-2-aminocyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-aminocyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-aminocyclohexan-1-ol is N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-aminocyclohexan-1-ol?
The InChIKey is PQMCFTMVQORYJC-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-aminocyclohexan-1-ol?
cis-(1S,2R)-2-aminocyclohexan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-aminocyclohexan-1-ol is sourced from PubChem (CID 2724651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).