4-[ethyl(methyl)amino]cyclohexan-1-one

C9H17NO — CID 45121915

IUPAC4-[ethyl(methyl)amino]cyclohexan-1-one
SMILESCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-3-10(2)8-4-6-9(11)7-5-8/h8H,3-7H2,1-2H3
InChIKeyRGYDRXUAUTWTID-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

About 4-[ethyl(methyl)amino]cyclohexan-1-one

4-[ethyl(methyl)amino]cyclohexan-1-one (PubChem CID 45121915) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]cyclohexan-1-one
PubChem CID45121915
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[ethyl(methyl)amino]cyclohexan-1-one
SMILESCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-3-10(2)8-4-6-9(11)7-5-8/h8H,3-7H2,1-2H3
InChIKeyRGYDRXUAUTWTID-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[ethyl(methyl)amino]cyclohexan-1-one (CID 45121915) is 4-[ethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[ethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[ethyl(methyl)amino]cyclohexan-1-one is CCN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[ethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is RGYDRXUAUTWTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10(2)8-4-6-9(11)7-5-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-[ethyl(methyl)amino]cyclohexan-1-one?
4-[ethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 45121915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).