5,6-dichlorocyclohexa-1,5-dien-1-amine

C6H7Cl2N — CID 22452622

IUPAC5,6-dichlorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCCC(Cl)=C1Cl
InChIInChI=1S/C6H7Cl2N/c7-4-2-1-3-5(9)6(4)8/h3H,1-2,9H2
InChIKeyHEKGFICWMPWDMS-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.31
Rot. Bonds

About 5,6-dichlorocyclohexa-1,5-dien-1-amine

5,6-dichlorocyclohexa-1,5-dien-1-amine (PubChem CID 22452622) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 5,6-dichlorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5,6-dichlorocyclohexa-1,5-dien-1-amine
PubChem CID22452622
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name5,6-dichlorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCCC(Cl)=C1Cl
InChIInChI=1S/C6H7Cl2N/c7-4-2-1-3-5(9)6(4)8/h3H,1-2,9H2
InChIKeyHEKGFICWMPWDMS-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichlorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 5,6-dichlorocyclohexa-1,5-dien-1-amine (CID 22452622) is 5,6-dichlorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5,6-dichlorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5,6-dichlorocyclohexa-1,5-dien-1-amine is NC1=CCCC(Cl)=C1Cl.
What is the InChIKey of 5,6-dichlorocyclohexa-1,5-dien-1-amine?
The InChIKey is HEKGFICWMPWDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c7-4-2-1-3-5(9)6(4)8/h3H,1-2,9H2.
What are the key properties of 5,6-dichlorocyclohexa-1,5-dien-1-amine?
5,6-dichlorocyclohexa-1,5-dien-1-amine has a molecular weight of 164.03 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichlorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 22452622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).