2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one

C12H24N2O — CID 63701207

IUPAC2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(C)CCN(C)CC1CCCCC1=O
InChIInChI=1S/C12H24N2O/c1-13(2)8-9-14(3)10-11-6-4-5-7-12(11)15/h11H,4-10H2,1-3H3
InChIKeyLEFFXESERNPOQS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one

2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 63701207) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
PubChem CID63701207
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(C)CCN(C)CC1CCCCC1=O
InChIInChI=1S/C12H24N2O/c1-13(2)8-9-14(3)10-11-6-4-5-7-12(11)15/h11H,4-10H2,1-3H3
InChIKeyLEFFXESERNPOQS-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cycloheptan-1-one
CID 63864349
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
CID 103058009
2-[[methyl(2-methylbutyl)amino]methyl]cycloheptan-1-one
CID 62613019
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one
CID 62616157
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one
CID 62612697
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62616864
2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
CID 62613017
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one (CID 63701207) is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one is CN(C)CCN(C)CC1CCCCC1=O.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is LEFFXESERNPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13(2)8-9-14(3)10-11-6-4-5-7-12(11)15/h11H,4-10H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one?
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63701207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).