cyclohexen-1-ylmethylhydrazine

C7H14N2 — CID 106648913

IUPACcyclohexen-1-ylmethylhydrazine
SMILESNNCC1=CCCCC1
InChIInChI=1S/C7H14N2/c8-9-6-7-4-2-1-3-5-7/h4,9H,1-3,5-6,8H2
InChIKeyPISLNDFDCQLJBU-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.95
Rot. Bonds2

About cyclohexen-1-ylmethylhydrazine

cyclohexen-1-ylmethylhydrazine (PubChem CID 106648913) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is cyclohexen-1-ylmethylhydrazine.

Molecular Properties

Compound Namecyclohexen-1-ylmethylhydrazine
PubChem CID106648913
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namecyclohexen-1-ylmethylhydrazine
SMILESNNCC1=CCCCC1
InChIInChI=1S/C7H14N2/c8-9-6-7-4-2-1-3-5-7/h4,9H,1-3,5-6,8H2
InChIKeyPISLNDFDCQLJBU-UHFFFAOYSA-N
XLogP0.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 cyclohexen-1-ylmethylhydrazine?
The IUPAC name of cyclohexen-1-ylmethylhydrazine (CID 106648913) is cyclohexen-1-ylmethylhydrazine.
What is the SMILES notation for cyclohexen-1-ylmethylhydrazine?
The canonical SMILES for cyclohexen-1-ylmethylhydrazine is NNCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethylhydrazine?
The InChIKey is PISLNDFDCQLJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-9-6-7-4-2-1-3-5-7/h4,9H,1-3,5-6,8H2.
What are the key properties of cyclohexen-1-ylmethylhydrazine?
cyclohexen-1-ylmethylhydrazine has a molecular weight of 126.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethylhydrazine is sourced from PubChem (CID 106648913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).