4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine

C10H15N3 — CID 19805258

IUPAC4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(=[N+]=[N-])C(C)C=C1N(C)C
InChIInChI=1S/C10H15N3/c1-7-6-10(13(3)4)8(2)5-9(7)12-11/h5-7H,1-4H3
InChIKeyROVDZZWJWPXHFW-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.70
Rot. Bonds1

About 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine

4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine (PubChem CID 19805258) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine
PubChem CID19805258
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(=[N+]=[N-])C(C)C=C1N(C)C
InChIInChI=1S/C10H15N3/c1-7-6-10(13(3)4)8(2)5-9(7)12-11/h5-7H,1-4H3
InChIKeyROVDZZWJWPXHFW-UHFFFAOYSA-N
XLogP1.70
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.70
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,3,6-tetramethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine (CID 19805258) is 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine is CC1=CC(=[N+]=[N-])C(C)C=C1N(C)C.
What is the InChIKey of 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine?
The InChIKey is ROVDZZWJWPXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-6-10(13(3)4)8(2)5-9(7)12-11/h5-7H,1-4H3.
What are the key properties of 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine?
4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 19805258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).