trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

C20H42N2O2 — CID 160940827

IUPACtrans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)C[C@@H]1CCCC[C@@]1(C)O.CN(C)C[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/2C10H21NO/c2*1-10(12)7-5-4-6-9(10)8-11(2)3/h2*9,12H,4-8H2,1-3H3/t2*9-,10+/m10/s1
InChIKeySUMJDVJZOVBZEF-HNOCIFQMSA-N
MW342.57 g/mol
LogP2.98
Rot. Bonds4

About trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (PubChem CID 160940827) has the molecular formula C20H42N2O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
PubChem CID160940827
Molecular FormulaC20H42N2O2
Molecular Weight342.57 g/mol
Exact Mass342.32
IUPAC Nametrans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)C[C@@H]1CCCC[C@@]1(C)O.CN(C)C[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/2C10H21NO/c2*1-10(12)7-5-4-6-9(10)8-11(2)3/h2*9,12H,4-8H2,1-3H3/t2*9-,10+/m10/s1
InChIKeySUMJDVJZOVBZEF-HNOCIFQMSA-N
XLogP2.98
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (CID 160940827) is trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is CN(C)C[C@@H]1CCCC[C@@]1(C)O.CN(C)C[C@H]1CCCC[C@]1(C)O.
What is the InChIKey of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The InChIKey is SUMJDVJZOVBZEF-HNOCIFQMSA-N. The full InChI is InChI=1S/2C10H21NO/c2*1-10(12)7-5-4-6-9(10)8-11(2)3/h2*9,12H,4-8H2,1-3H3/t2*9-,10+/m10/s1.
What are the key properties of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol has a molecular weight of 342.57 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 160940827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).