6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane

C7H12Cl2N2 — CID 174587808

IUPAC6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane
SMILESC.NC1(N)C=CC=CC1(Cl)Cl
InChIInChI=1S/C6H8Cl2N2.CH4/c7-5(8)3-1-2-4-6(5,9)10;/h1-4H,9-10H2;1H4
InChIKeyBOJNJRSUKLMXOE-UHFFFAOYSA-N
MW195.09 g/mol
LogP1.54
Rot. Bonds

About 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane

6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane (PubChem CID 174587808) has the molecular formula C7H12Cl2N2 and a molecular weight of 195.09 g/mol. Its IUPAC name is 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane.

Molecular Properties

Compound Name6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane
PubChem CID174587808
Molecular FormulaC7H12Cl2N2
Molecular Weight195.09 g/mol
Exact Mass194.04
IUPAC Name6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane
SMILESC.NC1(N)C=CC=CC1(Cl)Cl
InChIInChI=1S/C6H8Cl2N2.CH4/c7-5(8)3-1-2-4-6(5,9)10;/h1-4H,9-10H2;1H4
InChIKeyBOJNJRSUKLMXOE-UHFFFAOYSA-N
XLogP1.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane?
The IUPAC name of 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane (CID 174587808) is 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane.
What is the SMILES notation for 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane?
The canonical SMILES for 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane is C.NC1(N)C=CC=CC1(Cl)Cl.
What is the InChIKey of 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane?
The InChIKey is BOJNJRSUKLMXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2.CH4/c7-5(8)3-1-2-4-6(5,9)10;/h1-4H,9-10H2;1H4.
What are the key properties of 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane?
6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane has a molecular weight of 195.09 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichlorocyclohexa-2,4-diene-1,1-diamine;methane is sourced from PubChem (CID 174587808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).