1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine

C9H16N2 — CID 130471557

IUPAC1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine
SMILESCCNNCC1=CC=CCC1
InChIInChI=1S/C9H16N2/c1-2-10-11-8-9-6-4-3-5-7-9/h3-4,6,10-11H,2,5,7-8H2,1H3
InChIKeyUDYCVYKBKJAXHF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.38
Rot. Bonds4

About 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine

1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine (PubChem CID 130471557) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine.

Molecular Properties

Compound Name1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine
PubChem CID130471557
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine
SMILESCCNNCC1=CC=CCC1
InChIInChI=1S/C9H16N2/c1-2-10-11-8-9-6-4-3-5-7-9/h3-4,6,10-11H,2,5,7-8H2,1H3
InChIKeyUDYCVYKBKJAXHF-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine?
The IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine (CID 130471557) is 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine.
What is the SMILES notation for 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine?
The canonical SMILES for 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine is CCNNCC1=CC=CCC1.
What is the InChIKey of 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine?
The InChIKey is UDYCVYKBKJAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-10-11-8-9-6-4-3-5-7-9/h3-4,6,10-11H,2,5,7-8H2,1H3.
What are the key properties of 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine?
1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine has a molecular weight of 152.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,3-dien-1-ylmethyl)-2-ethylhydrazine is sourced from PubChem (CID 130471557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).