5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one

C12H24N2O — CID 20590014

IUPAC5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one
SMILESCCCN1CCC(C)(C)CC(NC)C1=O
InChIInChI=1S/C12H24N2O/c1-5-7-14-8-6-12(2,3)9-10(13-4)11(14)15/h10,13H,5-9H2,1-4H3
InChIKeyKSRPUJDCFVAYGX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds3

About 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one

5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one (PubChem CID 20590014) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one
PubChem CID20590014
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one
SMILESCCCN1CCC(C)(C)CC(NC)C1=O
InChIInChI=1S/C12H24N2O/c1-5-7-14-8-6-12(2,3)9-10(13-4)11(14)15/h10,13H,5-9H2,1-4H3
InChIKeyKSRPUJDCFVAYGX-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one?
The IUPAC name of 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one (CID 20590014) is 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one?
The canonical SMILES for 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one is CCCN1CCC(C)(C)CC(NC)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one?
The InChIKey is KSRPUJDCFVAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-14-8-6-12(2,3)9-10(13-4)11(14)15/h10,13H,5-9H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one?
5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(methylamino)-1-propylazepan-2-one is sourced from PubChem (CID 20590014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).