2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine

C10H14ClN3 — CID 18697472

IUPAC2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=C(Cl)CC(=[N+]=[N-])C=C1
InChIInChI=1S/C10H14ClN3/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11/h5-6H,3-4,7H2,1-2H3
InChIKeyDHJKHOVAFCEJMP-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine

2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine (PubChem CID 18697472) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
PubChem CID18697472
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=C(Cl)CC(=[N+]=[N-])C=C1
InChIInChI=1S/C10H14ClN3/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11/h5-6H,3-4,7H2,1-2H3
InChIKeyDHJKHOVAFCEJMP-UHFFFAOYSA-N
XLogP2.41
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.41
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-Diazodiethylaniline
CID 19078851
4-diazo-N,N-diethyl-2-fluorocyclohexa-1,5-dien-1-amine
CID 154324912
3-chloro-4-diazo-2-fluoro-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 163793672
2-chloro-4-diazo-3-fluoro-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 164143071
2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
CID 19040198
6-chloro-4-diazo-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 19099209
P-N,N-Diethylanilinediazonium ZINC chloride
CID 19099211
6-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
CID 19099212
4-diazo-N-methyl-N-prop-2-enylcyclohexa-1,5-dien-1-amine
CID 20340947
zinc;5-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine;dichloride
CID 20402772
5-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
CID 20402773
5,6-dichloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
CID 20489877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine (CID 18697472) is 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine is CCN(CC)C1=C(Cl)CC(=[N+]=[N-])C=C1.
What is the InChIKey of 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine?
The InChIKey is DHJKHOVAFCEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine?
2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine has a molecular weight of 211.70 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 18697472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).