4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane

C9H13Cl2N — CID 130020808

IUPAC4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane
SMILESClC1C2CC3CC(C2)C(Cl)C1N3
InChIInChI=1S/C9H13Cl2N/c10-7-4-1-5-3-6(2-4)12-9(7)8(5)11/h4-9,12H,1-3H2
InChIKeyOYHHAZBJBMVXIR-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.97
Rot. Bonds

About 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane

4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 130020808) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane
PubChem CID130020808
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane
SMILESClC1C2CC3CC(C2)C(Cl)C1N3
InChIInChI=1S/C9H13Cl2N/c10-7-4-1-5-3-6(2-4)12-9(7)8(5)11/h4-9,12H,1-3H2
InChIKeyOYHHAZBJBMVXIR-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.97
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 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane (CID 130020808) is 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane is ClC1C2CC3CC(C2)C(Cl)C1N3.
What is the InChIKey of 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is OYHHAZBJBMVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N/c10-7-4-1-5-3-6(2-4)12-9(7)8(5)11/h4-9,12H,1-3H2.
What are the key properties of 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane?
4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 206.12 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dichloro-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 130020808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).