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

C10H19NO — CID 12757854

IUPAC2-[2-(dimethylamino)ethyl]cyclohexan-1-one
SMILESCN(C)CCC1CCCCC1=O
InChIInChI=1S/C10H19NO/c1-11(2)8-7-9-5-3-4-6-10(9)12/h9H,3-8H2,1-2H3
InChIKeyIVSFKODEVVMSPG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]cyclohexan-1-one (PubChem CID 12757854) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]cyclohexan-1-one
PubChem CID12757854
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[2-(dimethylamino)ethyl]cyclohexan-1-one
SMILESCN(C)CCC1CCCCC1=O
InChIInChI=1S/C10H19NO/c1-11(2)8-7-9-5-3-4-6-10(9)12/h9H,3-8H2,1-2H3
InChIKeyIVSFKODEVVMSPG-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]cyclohexan-1-one (CID 12757854) is 2-[2-(dimethylamino)ethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]cyclohexan-1-one is CN(C)CCC1CCCCC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]cyclohexan-1-one?
The InChIKey is IVSFKODEVVMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11(2)8-7-9-5-3-4-6-10(9)12/h9H,3-8H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]cyclohexan-1-one?
2-[2-(dimethylamino)ethyl]cyclohexan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]cyclohexan-1-one is sourced from PubChem (CID 12757854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).