4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine

C12H19N3 — CID 18779429

IUPAC4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
SMILESCCCN(CCC)C1C=CC(=[N+]=[N-])C=C1
InChIInChI=1S/C12H19N3/c1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyKPSKDYZCLOJOOL-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.27
Rot. Bonds5

About 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine

4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine (PubChem CID 18779429) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
PubChem CID18779429
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
SMILESCCCN(CCC)C1C=CC(=[N+]=[N-])C=C1
InChIInChI=1S/C12H19N3/c1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyKPSKDYZCLOJOOL-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'}

Analyze 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diazodimethylanilin
CID 87638682
Diazodiethyl aniline
CID 87926225
Diazodiethyl aniline hydrochloride
CID 129829273
4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 14440165
4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine
CID 18779426
4-diazo-N,N,2-trimethylcyclohexa-2,5-dien-1-amine
CID 18779436
zinc;4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine;dichloride
CID 19857749
4-diazo-N,N-diethyl-2-methylcyclohexa-2,5-dien-1-amine
CID 19931608
2-chloro-4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine
CID 20435813
N-cyclohexyl-4-diazo-N-methylcyclohexa-2,5-dien-1-amine
CID 20435816
N,N-dibutyl-4-diazocyclohexa-2,5-dien-1-amine
CID 21470631
zinc;4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine;dichloride
CID 21662418

Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine (CID 18779429) is 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine is CCCN(CCC)C1C=CC(=[N+]=[N-])C=C1.
What is the InChIKey of 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine?
The InChIKey is KPSKDYZCLOJOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine?
4-diazo-N,N-dipropylcyclohexa-2,5-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 4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 18779429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).