6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide

C12H24N4O2 — CID 102892888

IUPAC6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide
SMILESCN1CCCN(CCCCCC(=O)NN)CC1=O
InChIInChI=1S/C12H24N4O2/c1-15-7-5-9-16(10-12(15)18)8-4-2-3-6-11(17)14-13/h2-10,13H2,1H3,(H,14,17)
InChIKeyZFWBQICQYHBFFN-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.30
Rot. Bonds6

About 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide

6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide (PubChem CID 102892888) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide
PubChem CID102892888
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide
SMILESCN1CCCN(CCCCCC(=O)NN)CC1=O
InChIInChI=1S/C12H24N4O2/c1-15-7-5-9-16(10-12(15)18)8-4-2-3-6-11(17)14-13/h2-10,13H2,1H3,(H,14,17)
InChIKeyZFWBQICQYHBFFN-UHFFFAOYSA-N
XLogP-0.30
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide?
The IUPAC name of 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide (CID 102892888) is 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide?
The canonical SMILES for 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide is CN1CCCN(CCCCCC(=O)NN)CC1=O.
What is the InChIKey of 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide?
The InChIKey is ZFWBQICQYHBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-15-7-5-9-16(10-12(15)18)8-4-2-3-6-11(17)14-13/h2-10,13H2,1H3,(H,14,17).
What are the key properties of 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide?
6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide has a molecular weight of 256.35 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide is sourced from PubChem (CID 102892888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).