3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one

C12H21NO — CID 79617844

IUPAC3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
SMILESCC(C1CC1)N(C)C1CCCC(=O)C1
InChIInChI=1S/C12H21NO/c1-9(10-6-7-10)13(2)11-4-3-5-12(14)8-11/h9-11H,3-8H2,1-2H3
InChIKeyMCBLHOIPXQLDIL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds3

About 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one

3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one (PubChem CID 79617844) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
PubChem CID79617844
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
SMILESCC(C1CC1)N(C)C1CCCC(=O)C1
InChIInChI=1S/C12H21NO/c1-9(10-6-7-10)13(2)11-4-3-5-12(14)8-11/h9-11H,3-8H2,1-2H3
InChIKeyMCBLHOIPXQLDIL-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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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one (CID 79617844) is 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one is CC(C1CC1)N(C)C1CCCC(=O)C1.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is MCBLHOIPXQLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(10-6-7-10)13(2)11-4-3-5-12(14)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one?
3-[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 3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79617844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).