3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine

C6H13N3 — CID 3571819

IUPAC3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine
SMILESNNC1=NCCCCC1
InChIInChI=1S/C6H13N3/c7-9-6-4-2-1-3-5-8-6/h1-5,7H2,(H,8,9)
InChIKeyZCFIBBHEABFENN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.42
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine

3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine (PubChem CID 3571819) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine
PubChem CID3571819
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine
SMILESNNC1=NCCCCC1
InChIInChI=1S/C6H13N3/c7-9-6-4-2-1-3-5-8-6/h1-5,7H2,(H,8,9)
InChIKeyZCFIBBHEABFENN-UHFFFAOYSA-N
XLogP0.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine?
The IUPAC name of 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine (CID 3571819) is 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine is NNC1=NCCCCC1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine?
The InChIKey is ZCFIBBHEABFENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c7-9-6-4-2-1-3-5-8-6/h1-5,7H2,(H,8,9).
What are the key properties of 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine?
3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine has a molecular weight of 127.19 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazine is sourced from PubChem (CID 3571819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).