N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine

C12H19Cl2N3 — CID 106251497

IUPACN'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3/c1-3-12(4-2,7-15)8-17-11-10(14)5-9(13)6-16-11/h5-6H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyPYXNPYBIFSZWEN-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.57
Rot. Bonds6

About N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine

N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine (PubChem CID 106251497) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
PubChem CID106251497
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC NameN'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3/c1-3-12(4-2,7-15)8-17-11-10(14)5-9(13)6-16-11/h5-6H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyPYXNPYBIFSZWEN-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine
CID 106251840
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
CID 107867329
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
CID 65027406
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
CID 79734278
2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine (CID 106251497) is N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNc1ncc(Cl)cc1Cl.
What is the InChIKey of N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is PYXNPYBIFSZWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3/c1-3-12(4-2,7-15)8-17-11-10(14)5-9(13)6-16-11/h5-6H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 276.21 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 106251497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).