trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol

C7H15NO — CID 12847193

IUPACtrans-(1R,2R)-2-(methylamino)cyclohexan-1-ol
SMILESCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHILGAVODIXBHHR-RNFRBKRXSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds1

About trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol (PubChem CID 12847193) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(methylamino)cyclohexan-1-ol
PubChem CID12847193
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nametrans-(1R,2R)-2-(methylamino)cyclohexan-1-ol
SMILESCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHILGAVODIXBHHR-RNFRBKRXSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol (CID 12847193) is trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol is CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol?
The InChIKey is HILGAVODIXBHHR-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-6-4-2-3-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 12847193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).