1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine

C13H20Cl2N2 — CID 55162001

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1ncc(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-5-16-12(13(2,3)4)7-11-10(15)6-9(14)8-17-11/h6,8,12,16H,5,7H2,1-4H3
InChIKeyMLYJKVYRCNTAOV-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.96
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 55162001) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID55162001
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1ncc(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-5-16-12(13(2,3)4)7-11-10(15)6-9(14)8-17-11/h6,8,12,16H,5,7H2,1-4H3
InChIKeyMLYJKVYRCNTAOV-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine (CID 55162001) is 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(Cc1ncc(Cl)cc1Cl)C(C)(C)C.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is MLYJKVYRCNTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-5-16-12(13(2,3)4)7-11-10(15)6-9(14)8-17-11/h6,8,12,16H,5,7H2,1-4H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 275.22 g/mol, XLogP of 3.96, 4 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-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 55162001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).