3-(azepan-1-yl)-2-methylpropanehydrazide

C10H21N3O — CID 3866865

IUPAC3-(azepan-1-yl)-2-methylpropanehydrazide
SMILESCC(CN1CCCCCC1)C(=O)NN
InChIInChI=1S/C10H21N3O/c1-9(10(14)12-11)8-13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyDJCWNGJDRJTBNB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.49
Rot. Bonds3

About 3-(azepan-1-yl)-2-methylpropanehydrazide

3-(azepan-1-yl)-2-methylpropanehydrazide (PubChem CID 3866865) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-methylpropanehydrazide
PubChem CID3866865
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(azepan-1-yl)-2-methylpropanehydrazide
SMILESCC(CN1CCCCCC1)C(=O)NN
InChIInChI=1S/C10H21N3O/c1-9(10(14)12-11)8-13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyDJCWNGJDRJTBNB-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 3-(azepan-1-yl)-2-methylpropanehydrazide?
The IUPAC name of 3-(azepan-1-yl)-2-methylpropanehydrazide (CID 3866865) is 3-(azepan-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for 3-(azepan-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for 3-(azepan-1-yl)-2-methylpropanehydrazide is CC(CN1CCCCCC1)C(=O)NN.
What is the InChIKey of 3-(azepan-1-yl)-2-methylpropanehydrazide?
The InChIKey is DJCWNGJDRJTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(10(14)12-11)8-13-6-4-2-3-5-7-13/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 3-(azepan-1-yl)-2-methylpropanehydrazide?
3-(azepan-1-yl)-2-methylpropanehydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 3866865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).