1-butyl-6-methyl-1,4-diazepan-2-one

C10H20N2O — CID 83696938

IUPAC1-butyl-6-methyl-1,4-diazepan-2-one
SMILESCCCCN1CC(C)CNCC1=O
InChIInChI=1S/C10H20N2O/c1-3-4-5-12-8-9(2)6-11-7-10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyFAULJKLWQRALOT-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds3

About 1-butyl-6-methyl-1,4-diazepan-2-one

1-butyl-6-methyl-1,4-diazepan-2-one (PubChem CID 83696938) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-butyl-6-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-butyl-6-methyl-1,4-diazepan-2-one
PubChem CID83696938
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-butyl-6-methyl-1,4-diazepan-2-one
SMILESCCCCN1CC(C)CNCC1=O
InChIInChI=1S/C10H20N2O/c1-3-4-5-12-8-9(2)6-11-7-10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyFAULJKLWQRALOT-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
5-amino-1-butylpiperidin-2-one
CID 64978058
1-hexylpiperazin-2-one
CID 62311409
1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
CID 117014863
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-butyl-5-(2-methylpropyl)piperidin-2-one
CID 139951244
1,5-dibutylpiperidin-2-one
CID 139951277
1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
1-butyl-5-methyl-1,3-diazinane-2,4-dione
CID 78199091
1,4-dibutylpiperazine-2,5-dione
CID 19902955
5-amino-1-pentylpiperidin-2-one
CID 64977965

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methyl-1,4-diazepan-2-one?
The IUPAC name of 1-butyl-6-methyl-1,4-diazepan-2-one (CID 83696938) is 1-butyl-6-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-butyl-6-methyl-1,4-diazepan-2-one?
The canonical SMILES for 1-butyl-6-methyl-1,4-diazepan-2-one is CCCCN1CC(C)CNCC1=O.
What is the InChIKey of 1-butyl-6-methyl-1,4-diazepan-2-one?
The InChIKey is FAULJKLWQRALOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-12-8-9(2)6-11-7-10(12)13/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-butyl-6-methyl-1,4-diazepan-2-one?
1-butyl-6-methyl-1,4-diazepan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 83696938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).