4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one

C12H23NO2 — CID 106452882

IUPAC4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one
SMILESCCCOCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO2/c1-3-9-15-10-8-13(2)11-4-6-12(14)7-5-11/h11H,3-10H2,1-2H3
InChIKeyHEFXCOXXPHGDHQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.86
Rot. Bonds6

About 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one

4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one (PubChem CID 106452882) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one
PubChem CID106452882
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one
SMILESCCCOCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO2/c1-3-9-15-10-8-13(2)11-4-6-12(14)7-5-11/h11H,3-10H2,1-2H3
InChIKeyHEFXCOXXPHGDHQ-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one (CID 106452882) is 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one is CCCOCCN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one?
The InChIKey is HEFXCOXXPHGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-9-15-10-8-13(2)11-4-6-12(14)7-5-11/h11H,3-10H2,1-2H3.
What are the key properties of 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one?
4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 106452882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).