1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one

C12H22N2O — CID 22984844

IUPAC1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(C2CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-12(2)8-4-5-10(13-3)11(15)14(12)9-6-7-9/h9-10,13H,4-8H2,1-3H3
InChIKeyQTDULABQDPHFNP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds2

About 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one

1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 22984844) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one
PubChem CID22984844
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(C2CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-12(2)8-4-5-10(13-3)11(15)14(12)9-6-7-9/h9-10,13H,4-8H2,1-3H3
InChIKeyQTDULABQDPHFNP-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 22984844) is 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)(C)N(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is QTDULABQDPHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)8-4-5-10(13-3)11(15)14(12)9-6-7-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one?
1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).