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

C12H21NO — CID 114762043

IUPAC4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
SMILESCC(C1CC1)N(C)C1CCC(=O)CC1
InChIInChI=1S/C12H21NO/c1-9(10-3-4-10)13(2)11-5-7-12(14)8-6-11/h9-11H,3-8H2,1-2H3
InChIKeyBXSWHTPKUMPPBK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds3

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

4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one (PubChem CID 114762043) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
PubChem CID114762043
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
SMILESCC(C1CC1)N(C)C1CCC(=O)CC1
InChIInChI=1S/C12H21NO/c1-9(10-3-4-10)13(2)11-5-7-12(14)8-6-11/h9-11H,3-8H2,1-2H3
InChIKeyBXSWHTPKUMPPBK-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 79617844
4-[but-3-en-2-yl(methyl)amino]cyclohexan-1-one
CID 79120022
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-ol
CID 114762400
propan-2-yl N-methyl-N-(4-oxocyclohexyl)carbamate
CID 79120558
2-[1-cyclopropylethyl(methyl)amino]cycloheptan-1-one
CID 60863640
N-methyl-N-(1-piperidin-4-ylethyl)cyclobutanamine
CID 131036657
N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120565
N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120588
4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
CID 114762136
4-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclohexan-1-one
CID 79120030
3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one
CID 79643748

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one (CID 114762043) is 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one is CC(C1CC1)N(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is BXSWHTPKUMPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(10-3-4-10)13(2)11-5-7-12(14)8-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 114762043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).