4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine

C10H17N3 — CID 134356799

IUPAC4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC/N=N/C1=CCC(N(C)C)C=C1
InChIInChI=1S/C10H17N3/c1-4-11-12-9-5-7-10(8-6-9)13(2)3/h5-7,10H,4,8H2,1-3H3/b12-11+
InChIKeyQAUIJMKLXCYOAO-VAWYXSNFSA-N
MW179.27 g/mol
LogP2.23
Rot. Bonds3

About 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine

4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 134356799) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID134356799
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC/N=N/C1=CCC(N(C)C)C=C1
InChIInChI=1S/C10H17N3/c1-4-11-12-9-5-7-10(8-6-9)13(2)3/h5-7,10H,4,8H2,1-3H3/b12-11+
InChIKeyQAUIJMKLXCYOAO-VAWYXSNFSA-N
XLogP2.23
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.23
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 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 134356799) is 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine is CC/N=N/C1=CCC(N(C)C)C=C1.
What is the InChIKey of 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is QAUIJMKLXCYOAO-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-11-12-9-5-7-10(8-6-9)13(2)3/h5-7,10H,4,8H2,1-3H3/b12-11+.
What are the key properties of 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 179.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethyldiazenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134356799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).