2-(diethylaminomethyl)-4-methylcyclohexan-1-one

C12H23NO — CID 62611674

IUPAC2-(diethylaminomethyl)-4-methylcyclohexan-1-one
SMILESCCN(CC)CC1CC(C)CCC1=O
InChIInChI=1S/C12H23NO/c1-4-13(5-2)9-11-8-10(3)6-7-12(11)14/h10-11H,4-9H2,1-3H3
InChIKeyGPGSNRQTKONFIN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(diethylaminomethyl)-4-methylcyclohexan-1-one

2-(diethylaminomethyl)-4-methylcyclohexan-1-one (PubChem CID 62611674) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-4-methylcyclohexan-1-one
PubChem CID62611674
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(diethylaminomethyl)-4-methylcyclohexan-1-one
SMILESCCN(CC)CC1CC(C)CCC1=O
InChIInChI=1S/C12H23NO/c1-4-13(5-2)9-11-8-10(3)6-7-12(11)14/h10-11H,4-9H2,1-3H3
InChIKeyGPGSNRQTKONFIN-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-4-methylcyclohexan-1-one?
The IUPAC name of 2-(diethylaminomethyl)-4-methylcyclohexan-1-one (CID 62611674) is 2-(diethylaminomethyl)-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-(diethylaminomethyl)-4-methylcyclohexan-1-one?
The canonical SMILES for 2-(diethylaminomethyl)-4-methylcyclohexan-1-one is CCN(CC)CC1CC(C)CCC1=O.
What is the InChIKey of 2-(diethylaminomethyl)-4-methylcyclohexan-1-one?
The InChIKey is GPGSNRQTKONFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13(5-2)9-11-8-10(3)6-7-12(11)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-4-methylcyclohexan-1-one?
2-(diethylaminomethyl)-4-methylcyclohexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-4-methylcyclohexan-1-one is sourced from PubChem (CID 62611674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).