trans-(1S,2S)-2-aminocyclohexan-1-ol

C6H13NO — CID 7057408

IUPACtrans-(1S,2S)-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-/m0/s1
InChIKeyPQMCFTMVQORYJC-WDSKDSINSA-N
MW115.18 g/mol
LogP0.25
Rot. Bonds

About trans-(1S,2S)-2-aminocyclohexan-1-ol

trans-(1S,2S)-2-aminocyclohexan-1-ol (PubChem CID 7057408) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclohexan-1-ol
PubChem CID7057408
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nametrans-(1S,2S)-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-/m0/s1
InChIKeyPQMCFTMVQORYJC-WDSKDSINSA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-aminocyclohexan-1-ol (CID 7057408) is trans-(1S,2S)-2-aminocyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-aminocyclohexan-1-ol is N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-aminocyclohexan-1-ol?
The InChIKey is PQMCFTMVQORYJC-WDSKDSINSA-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-/m0/s1.
What are the key properties of trans-(1S,2S)-2-aminocyclohexan-1-ol?
trans-(1S,2S)-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 trans-(1S,2S)-2-aminocyclohexan-1-ol is sourced from PubChem (CID 7057408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).