(2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene

C10H15N3 — CID 89336339

IUPAC(2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene
SMILESCC/N=N/C1=C(C)CC=C(C)N=C1
InChIInChI=1S/C10H15N3/c1-4-12-13-10-7-11-9(3)6-5-8(10)2/h6-7H,4-5H2,1-3H3/b13-12+
InChIKeyXTKRHVQGGABHJF-OUKQBFOZSA-N
MW177.25 g/mol
LogP3.11
Rot. Bonds2

About (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene

(2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene (PubChem CID 89336339) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene.

Molecular Properties

Compound Name(2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene
PubChem CID89336339
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene
SMILESCC/N=N/C1=C(C)CC=C(C)N=C1
InChIInChI=1S/C10H15N3/c1-4-12-13-10-7-11-9(3)6-5-8(10)2/h6-7H,4-5H2,1-3H3/b13-12+
InChIKeyXTKRHVQGGABHJF-OUKQBFOZSA-N
XLogP3.11
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene?
The IUPAC name of (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene (CID 89336339) is (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene.
What is the SMILES notation for (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene?
The canonical SMILES for (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene is CC/N=N/C1=C(C)CC=C(C)N=C1.
What is the InChIKey of (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene?
The InChIKey is XTKRHVQGGABHJF-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-12-13-10-7-11-9(3)6-5-8(10)2/h6-7H,4-5H2,1-3H3/b13-12+.
What are the key properties of (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene?
(2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene has a molecular weight of 177.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4H-azepin-6-yl)-ethyldiazene is sourced from PubChem (CID 89336339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).