4-(dimethylamino)cyclohexan-1-one

C8H15NO — CID 10374545

IUPAC4-(dimethylamino)cyclohexan-1-one
SMILESCN(C)C1CCC(=O)CC1
InChIInChI=1S/C8H15NO/c1-9(2)7-3-5-8(10)6-4-7/h7H,3-6H2,1-2H3
InChIKeyLMBFUMXVHAJSNJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds1

About 4-(dimethylamino)cyclohexan-1-one

4-(dimethylamino)cyclohexan-1-one (PubChem CID 10374545) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)cyclohexan-1-one
PubChem CID10374545
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(dimethylamino)cyclohexan-1-one
SMILESCN(C)C1CCC(=O)CC1
InChIInChI=1S/C8H15NO/c1-9(2)7-3-5-8(10)6-4-7/h7H,3-6H2,1-2H3
InChIKeyLMBFUMXVHAJSNJ-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dimethylamino)cyclohexan-1-one
CID 138887
2-(Diethylamino)cyclohexan-1-one
CID 13085448
4-{[2-(Dimethylamino)ethyl](methyl)amino}cyclohexan-1-one
CID 79119760
3-(Dimethylamino)cyclohexan-1-one hydrochloride
CID 86812375
3-(Dimethylamino)cyclohexan-1-one
CID 12264953
4-(Pyrrolidin-1-yl)cyclohexanone
CID 13670667
6-Dimethylamino-heptanone-3
CID 129719074
4-[Methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-one
CID 79120169
4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
CID 79120423
4-[2,2-Difluoroethyl(methyl)amino]cyclohexan-1-one
CID 79120672
4-[2-Fluoroethyl(methyl)amino]cyclohexan-1-one
CID 80694874
4-[3-Fluoropropyl(methyl)amino]cyclohexan-1-one
CID 81106098

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclohexan-1-one?
The IUPAC name of 4-(dimethylamino)cyclohexan-1-one (CID 10374545) is 4-(dimethylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(dimethylamino)cyclohexan-1-one?
The canonical SMILES for 4-(dimethylamino)cyclohexan-1-one is CN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-(dimethylamino)cyclohexan-1-one?
The InChIKey is LMBFUMXVHAJSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9(2)7-3-5-8(10)6-4-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-(dimethylamino)cyclohexan-1-one?
4-(dimethylamino)cyclohexan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclohexan-1-one is sourced from PubChem (CID 10374545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).