2,2-bis[(dimethylamino)methyl]cyclohexan-1-one

C12H24N2O — CID 53411153

IUPAC2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)CC1(CN(C)C)CCCCC1=O
InChIInChI=1S/C12H24N2O/c1-13(2)9-12(10-14(3)4)8-6-5-7-11(12)15/h5-10H2,1-4H3
InChIKeyVHYXIEYPLZKUCA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one

2,2-bis[(dimethylamino)methyl]cyclohexan-1-one (PubChem CID 53411153) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
PubChem CID53411153
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)CC1(CN(C)C)CCCCC1=O
InChIInChI=1S/C12H24N2O/c1-13(2)9-12(10-14(3)4)8-6-5-7-11(12)15/h5-10H2,1-4H3
InChIKeyVHYXIEYPLZKUCA-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one?
The IUPAC name of 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one (CID 53411153) is 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one is CN(C)CC1(CN(C)C)CCCCC1=O.
What is the InChIKey of 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one?
The InChIKey is VHYXIEYPLZKUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)9-12(10-14(3)4)8-6-5-7-11(12)15/h5-10H2,1-4H3.
What are the key properties of 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one?
2,2-bis[(dimethylamino)methyl]cyclohexan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(dimethylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 53411153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).