trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol

C13H25NO — CID 93317461

IUPACtrans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
SMILESCN(C1CCCCC1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H25NO/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h11-13,15H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyMFZQTEPQOCJIFK-STQMWFEESA-N
MW211.35 g/mol
LogP2.55
Rot. Bonds2

About trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol (PubChem CID 93317461) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
PubChem CID93317461
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nametrans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
SMILESCN(C1CCCCC1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H25NO/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h11-13,15H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyMFZQTEPQOCJIFK-STQMWFEESA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
2-[methyl-(4-methylcyclohexyl)amino]cyclopentan-1-ol
CID 60711910
2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
CID 60714732
trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
CID 102734871
2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
CID 66185277
2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol
CID 66184796
2-[(3-aminocyclohexyl)-methylamino]cyclohexan-1-ol
CID 102640048
2-[methyl-(3-methylcyclohexyl)amino]cyclopentan-1-ol
CID 61446890
2-[methyl(thiolan-3-yl)amino]cyclohexan-1-ol
CID 60883837
trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 102732058
2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol
CID 102636517

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol (CID 93317461) is trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol is CN(C1CCCCC1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is MFZQTEPQOCJIFK-STQMWFEESA-N. The full InChI is InChI=1S/C13H25NO/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h11-13,15H,2-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 93317461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).