3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine

C8H11Cl2N — CID 139438559

IUPAC3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC(Cl)=CC(C)(Cl)C1
InChIInChI=1S/C8H11Cl2N/c1-8(10)4-6(9)3-7(5-8)11-2/h3-4,11H,5H2,1-2H3
InChIKeyYXMDCSMKZOUCEN-UHFFFAOYSA-N
MW192.09 g/mol
LogP2.61
Rot. Bonds1

About 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine

3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 139438559) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID139438559
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC(Cl)=CC(C)(Cl)C1
InChIInChI=1S/C8H11Cl2N/c1-8(10)4-6(9)3-7(5-8)11-2/h3-4,11H,5H2,1-2H3
InChIKeyYXMDCSMKZOUCEN-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine (CID 139438559) is 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine is CNC1=CC(Cl)=CC(C)(Cl)C1.
What is the InChIKey of 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is YXMDCSMKZOUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N/c1-8(10)4-6(9)3-7(5-8)11-2/h3-4,11H,5H2,1-2H3.
What are the key properties of 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine?
3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 192.09 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 139438559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).