cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride

C6H14Cl4N2 — CID 19421136

IUPACcyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2.4ClH/c7-6(8)4-2-1-3-5-6;;;;/h1-4H,5,7-8H2;4*1H
InChIKeyPAGWZLPHIVHUNV-UHFFFAOYSA-N
MW256.00 g/mol
LogP1.80
Rot. Bonds

About cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride

cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride (PubChem CID 19421136) has the molecular formula C6H14Cl4N2 and a molecular weight of 256.00 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride
PubChem CID19421136
Molecular FormulaC6H14Cl4N2
Molecular Weight256.00 g/mol
Exact Mass253.99
IUPAC Namecyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2.4ClH/c7-6(8)4-2-1-3-5-6;;;;/h1-4H,5,7-8H2;4*1H
InChIKeyPAGWZLPHIVHUNV-UHFFFAOYSA-N
XLogP1.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.00
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-Diaminobenzene
CID 19421137
4-Fluorocyclohexa-2,4-diene-1,1-diamine
CID 70484572
6,6-Dichlorocyclohexa-2,4-diene-1,1-diamine
CID 17802374
4-Chlorocyclohexa-2,4-diene-1,1-diamine
CID 151709109
3-Chlorocyclohexa-2,4-diene-1,1-diamine
CID 153753861
1-Aminocyclohexa-2,4-diene-1-diazonium
CID 153939436
Cyclohexa-2,4-diene-1,1-diamine;hydrochloride
CID 174393206
6-Methylidenecyclohexa-2,4-diene-1,1-diamine
CID 174404838
6,6-Dichlorocyclohexa-2,4-diene-1,1-diamine;methane
CID 174587808
5-Chlorocyclohexa-2,4-diene-1,1-diamine
CID 174698561

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride?
The IUPAC name of cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride (CID 19421136) is cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride.
What is the SMILES notation for cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride?
The canonical SMILES for cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride is Cl.Cl.Cl.Cl.NC1(N)C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride?
The InChIKey is PAGWZLPHIVHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.4ClH/c7-6(8)4-2-1-3-5-6;;;;/h1-4H,5,7-8H2;4*1H.
What are the key properties of cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride?
cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride has a molecular weight of 256.00 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,1-diamine;tetrahydrochloride is sourced from PubChem (CID 19421136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).