1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one

C11H22N2O — CID 82241192

IUPAC1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCNCCC1C
InChIInChI=1S/C11H22N2O/c1-3-4-5-11(14)13-9-8-12-7-6-10(13)2/h10,12H,3-9H2,1-2H3
InChIKeyVEUNCSOOXCKSCC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds3

About 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one

1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one (PubChem CID 82241192) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
PubChem CID82241192
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCNCCC1C
InChIInChI=1S/C11H22N2O/c1-3-4-5-11(14)13-9-8-12-7-6-10(13)2/h10,12H,3-9H2,1-2H3
InChIKeyVEUNCSOOXCKSCC-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-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-(7-methyl-1,4-diazepan-1-yl)pentan-1-one?
The IUPAC name of 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one (CID 82241192) is 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one.
What is the SMILES notation for 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one?
The canonical SMILES for 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one is CCCCC(=O)N1CCNCCC1C.
What is the InChIKey of 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one?
The InChIKey is VEUNCSOOXCKSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-11(14)13-9-8-12-7-6-10(13)2/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one?
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one is sourced from PubChem (CID 82241192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).