N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine

C10H17N3 — CID 139380719

IUPACN,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine
SMILESC/N=N/C1=CC(C)C(N(C)C)C=C1
InChIInChI=1S/C10H17N3/c1-8-7-9(12-11-2)5-6-10(8)13(3)4/h5-8,10H,1-4H3/b12-11+
InChIKeyHPBORRJLPTVWCO-VAWYXSNFSA-N
MW179.27 g/mol
LogP2.09
Rot. Bonds2

About N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine

N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine (PubChem CID 139380719) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine
PubChem CID139380719
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine
SMILESC/N=N/C1=CC(C)C(N(C)C)C=C1
InChIInChI=1S/C10H17N3/c1-8-7-9(12-11-2)5-6-10(8)13(3)4/h5-8,10H,1-4H3/b12-11+
InChIKeyHPBORRJLPTVWCO-VAWYXSNFSA-N
XLogP2.09
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.09
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 N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine (CID 139380719) is N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine is C/N=N/C1=CC(C)C(N(C)C)C=C1.
What is the InChIKey of N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is HPBORRJLPTVWCO-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-7-9(12-11-2)5-6-10(8)13(3)4/h5-8,10H,1-4H3/b12-11+.
What are the key properties of N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine?
N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 179.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139380719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).