3-(azocan-1-yl)propanehydrazide

C10H21N3O — CID 63570983

IUPAC3-(azocan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCCCCCC1
InChIInChI=1S/C10H21N3O/c11-12-10(14)6-9-13-7-4-2-1-3-5-8-13/h1-9,11H2,(H,12,14)
InChIKeyYLGHMZIWPDIDAY-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.63
Rot. Bonds3

About 3-(azocan-1-yl)propanehydrazide

3-(azocan-1-yl)propanehydrazide (PubChem CID 63570983) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(azocan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(azocan-1-yl)propanehydrazide
PubChem CID63570983
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(azocan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCCCCCC1
InChIInChI=1S/C10H21N3O/c11-12-10(14)6-9-13-7-4-2-1-3-5-8-13/h1-9,11H2,(H,12,14)
InChIKeyYLGHMZIWPDIDAY-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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-(azocan-1-yl)propanehydrazide?
The IUPAC name of 3-(azocan-1-yl)propanehydrazide (CID 63570983) is 3-(azocan-1-yl)propanehydrazide.
What is the SMILES notation for 3-(azocan-1-yl)propanehydrazide?
The canonical SMILES for 3-(azocan-1-yl)propanehydrazide is NNC(=O)CCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)propanehydrazide?
The InChIKey is YLGHMZIWPDIDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-12-10(14)6-9-13-7-4-2-1-3-5-8-13/h1-9,11H2,(H,12,14).
What are the key properties of 3-(azocan-1-yl)propanehydrazide?
3-(azocan-1-yl)propanehydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)propanehydrazide is sourced from PubChem (CID 63570983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).