6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine

C12H19N3 — CID 88653155

IUPAC6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CCC)C1C=CC=CC1=[N+]=[N-]
InChIInChI=1S/C12H19N3/c1-3-9-15(10-4-2)12-8-6-5-7-11(12)14-13/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyPUOPGQSRZPBOAL-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.27
Rot. Bonds5

About 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine

6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine (PubChem CID 88653155) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine
PubChem CID88653155
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CCC)C1C=CC=CC1=[N+]=[N-]
InChIInChI=1S/C12H19N3/c1-3-9-15(10-4-2)12-8-6-5-7-11(12)14-13/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyPUOPGQSRZPBOAL-UHFFFAOYSA-N
XLogP2.27
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.27
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 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine (CID 88653155) is 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine is CCCN(CCC)C1C=CC=CC1=[N+]=[N-].
What is the InChIKey of 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine?
The InChIKey is PUOPGQSRZPBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-9-15(10-4-2)12-8-6-5-7-11(12)14-13/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine?
6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine has a molecular weight of 205.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 88653155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).