cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one

C12H24N2O — CID 853621

IUPACcis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)C[C@H]1CCC[C@@H](CN(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h10-11H,5-9H2,1-4H3/t10-,11+
InChIKeyWFFCWXMFKGCIGF-PHIMTYICSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one

cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one (PubChem CID 853621) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
PubChem CID853621
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namecis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)C[C@H]1CCC[C@@H](CN(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h10-11H,5-9H2,1-4H3/t10-,11+
InChIKeyWFFCWXMFKGCIGF-PHIMTYICSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one?
The IUPAC name of cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one (CID 853621) is cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one?
The canonical SMILES for cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one is CN(C)C[C@H]1CCC[C@@H](CN(C)C)C1=O.
What is the InChIKey of cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one?
The InChIKey is WFFCWXMFKGCIGF-PHIMTYICSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h10-11H,5-9H2,1-4H3/t10-,11+.
What are the key properties of cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one?
cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 853621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).