3,4-dichlorocyclohexa-1,5-diene-1,4-diamine

C6H8Cl2N2 — CID 70396219

IUPAC3,4-dichlorocyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CC(Cl)C(N)(Cl)C=C1
InChIInChI=1S/C6H8Cl2N2/c7-5-3-4(9)1-2-6(5,8)10/h1-3,5H,9-10H2
InChIKeyHJGMFKJNFWGCFM-UHFFFAOYSA-N
MW179.05 g/mol
LogP0.90
Rot. Bonds

About 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine

3,4-dichlorocyclohexa-1,5-diene-1,4-diamine (PubChem CID 70396219) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3,4-dichlorocyclohexa-1,5-diene-1,4-diamine
PubChem CID70396219
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name3,4-dichlorocyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CC(Cl)C(N)(Cl)C=C1
InChIInChI=1S/C6H8Cl2N2/c7-5-3-4(9)1-2-6(5,8)10/h1-3,5H,9-10H2
InChIKeyHJGMFKJNFWGCFM-UHFFFAOYSA-N
XLogP0.90
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

o-Dichloranilin
CID 70609865
3,4-Dichloro-4-fluorocyclohexa-1,5-dien-1-amine
CID 138562473
3-Chloro-4-fluorocyclohexa-1,5-dien-1-amine
CID 143966843
2-Chloro-1-fluorocyclohexa-3,5-diene-1,3-diamine
CID 151269898
2,4-Dichlorocyclohexa-1,5-dien-1-amine
CID 17896881
5,6-Dichloro-5-methylcyclohexa-1,3-dien-1-amine
CID 19910189
3,5-Dichlorocyclohexa-1,5-dien-1-amine
CID 23221783
1-Chlorocyclohexa-3,5-diene-1,3-diamine
CID 67200472
3-Chloro-4-methylcyclohexa-1,5-dien-1-amine
CID 68395267
2,4-Dichlorocyclohexa-1,5-diene-1,4-diamine
CID 69118758
4,5-Dichlorocyclohexa-1,3-dien-1-amine
CID 70327677
4-Chlorocyclohexa-1,5-diene-1,4-diamine
CID 70386294

Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine (CID 70396219) is 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine is NC1=CC(Cl)C(N)(Cl)C=C1.
What is the InChIKey of 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
The InChIKey is HJGMFKJNFWGCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2/c7-5-3-4(9)1-2-6(5,8)10/h1-3,5H,9-10H2.
What are the key properties of 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
3,4-dichlorocyclohexa-1,5-diene-1,4-diamine has a molecular weight of 179.05 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorocyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 70396219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).