3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine

C15H18N4 — CID 21040348

IUPAC3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine
SMILESCc1cc(/N=N/c2ccccc2)c(N)cc1N(C)C
InChIInChI=1S/C15H18N4/c1-11-9-14(13(16)10-15(11)19(2)3)18-17-12-7-5-4-6-8-12/h4-10H,16H2,1-3H3/b18-17+
InChIKeyCNQUTNQVSJSJMW-ISLYRVAYSA-N
MW254.34 g/mol
LogP4.06
Rot. Bonds3

About 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine

3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine (PubChem CID 21040348) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine
PubChem CID21040348
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine
SMILESCc1cc(/N=N/c2ccccc2)c(N)cc1N(C)C
InChIInChI=1S/C15H18N4/c1-11-9-14(13(16)10-15(11)19(2)3)18-17-12-7-5-4-6-8-12/h4-10H,16H2,1-3H3/b18-17+
InChIKeyCNQUTNQVSJSJMW-ISLYRVAYSA-N
XLogP4.06
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine (CID 21040348) is 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine is Cc1cc(/N=N/c2ccccc2)c(N)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine?
The InChIKey is CNQUTNQVSJSJMW-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-9-14(13(16)10-15(11)19(2)3)18-17-12-7-5-4-6-8-12/h4-10H,16H2,1-3H3/b18-17+.
What are the key properties of 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine?
3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine has a molecular weight of 254.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-6-phenyldiazenylbenzene-1,3-diamine is sourced from PubChem (CID 21040348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).