1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine

C10H12Cl2N2 — CID 79780550

IUPAC1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-6(2)9(13-3)10-8(12)4-7(11)5-14-10/h4-5,9,13H,1H2,2-3H3
InChIKeyFIUMZFMEAGBWSN-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.22
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine

1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79780550) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79780550
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-6(2)9(13-3)10-8(12)4-7(11)5-14-10/h4-5,9,13H,1H2,2-3H3
InChIKeyFIUMZFMEAGBWSN-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine (CID 79780550) is 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is FIUMZFMEAGBWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-6(2)9(13-3)10-8(12)4-7(11)5-14-10/h4-5,9,13H,1H2,2-3H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 231.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79780550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).