1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one

C11H21N3O — CID 59730882

IUPAC1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one
SMILESC=C1CCC(NC)C(=O)N(C(C)C)N1C
InChIInChI=1S/C11H21N3O/c1-8(2)14-11(15)10(12-4)7-6-9(3)13(14)5/h8,10,12H,3,6-7H2,1-2,4-5H3
InChIKeyXRAXIIMIQJUTSY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one

1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one (PubChem CID 59730882) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one.

Molecular Properties

Compound Name1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one
PubChem CID59730882
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one
SMILESC=C1CCC(NC)C(=O)N(C(C)C)N1C
InChIInChI=1S/C11H21N3O/c1-8(2)14-11(15)10(12-4)7-6-9(3)13(14)5/h8,10,12H,3,6-7H2,1-2,4-5H3
InChIKeyXRAXIIMIQJUTSY-UHFFFAOYSA-N
XLogP0.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one?
The IUPAC name of 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one (CID 59730882) is 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one.
What is the SMILES notation for 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one?
The canonical SMILES for 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one is C=C1CCC(NC)C(=O)N(C(C)C)N1C.
What is the InChIKey of 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one?
The InChIKey is XRAXIIMIQJUTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)14-11(15)10(12-4)7-6-9(3)13(14)5/h8,10,12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one?
1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one has a molecular weight of 211.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)-7-methylidene-2-propan-2-yldiazepan-3-one is sourced from PubChem (CID 59730882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).