4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine

C11H17N3 — CID 19805268

IUPAC4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C(C)=C1
InChIInChI=1S/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6,8H,4-5,7H2,1-3H3
InChIKeyNBQLKAYSIHPXHS-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.23
Rot. Bonds3

About 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine

4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine (PubChem CID 19805268) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine
PubChem CID19805268
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C(C)=C1
InChIInChI=1S/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6,8H,4-5,7H2,1-3H3
InChIKeyNBQLKAYSIHPXHS-UHFFFAOYSA-N
XLogP2.23
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.23
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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Related Compounds

P-Diazodimethylaniline
CID 18183675
p-Diazodiethylaniline
CID 19078851
p-Diazodiethyltoluidine
CID 88416393
4-diazo-N,N-diethyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 54101192
4-diazo-N,N-diethyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 154425221
2-(6-Diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine
CID 102489992
6-diazo-N,N-dipropylcyclohexa-1,3-dien-1-amine
CID 17766223
4-diazo-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 19014007
4-diazo-N,N,3,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 19805258
4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
CID 19805267
4-diazo-N-methyl-N-prop-2-enylcyclohexa-1,5-dien-1-amine
CID 20340947
4-diazo-N,N,2-trimethylcyclohexa-1,5-dien-1-amine
CID 20574590

Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine (CID 19805268) is 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine is CCN(CC)C1=CCC(=[N+]=[N-])C(C)=C1.
What is the InChIKey of 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is NBQLKAYSIHPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine?
4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 191.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 19805268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).