4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine

C10H15N3 — CID 18779426

IUPAC4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine
SMILESCCN(CC)C1C=CC(=[N+]=[N-])C=C1
InChIInChI=1S/C10H15N3/c1-3-13(4-2)10-7-5-9(12-11)6-8-10/h5-8,10H,3-4H2,1-2H3
InChIKeySNBFBNFWSLEORF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.49
Rot. Bonds3

About 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine

4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine (PubChem CID 18779426) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine
PubChem CID18779426
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine
SMILESCCN(CC)C1C=CC(=[N+]=[N-])C=C1
InChIInChI=1S/C10H15N3/c1-3-13(4-2)10-7-5-9(12-11)6-8-10/h5-8,10H,3-4H2,1-2H3
InChIKeySNBFBNFWSLEORF-UHFFFAOYSA-N
XLogP1.49
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine (CID 18779426) is 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine is CCN(CC)C1C=CC(=[N+]=[N-])C=C1.
What is the InChIKey of 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine?
The InChIKey is SNBFBNFWSLEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-13(4-2)10-7-5-9(12-11)6-8-10/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine?
4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 18779426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).