2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride

C11H20Cl2N4 — CID 21082862

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride
SMILESCC1CCC(C)N1c1ncc(N)cc1N.Cl.Cl
InChIInChI=1S/C11H18N4.2ClH/c1-7-3-4-8(2)15(7)11-10(13)5-9(12)6-14-11;;/h5-8H,3-4,12-13H2,1-2H3;2*1H
InChIKeyLRRBNGHZOOSNMA-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.47
Rot. Bonds1

About 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride

2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride (PubChem CID 21082862) has the molecular formula C11H20Cl2N4 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride
PubChem CID21082862
Molecular FormulaC11H20Cl2N4
Molecular Weight279.22 g/mol
Exact Mass278.11
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride
SMILESCC1CCC(C)N1c1ncc(N)cc1N.Cl.Cl
InChIInChI=1S/C11H18N4.2ClH/c1-7-3-4-8(2)15(7)11-10(13)5-9(12)6-14-11;;/h5-8H,3-4,12-13H2,1-2H3;2*1H
InChIKeyLRRBNGHZOOSNMA-UHFFFAOYSA-N
XLogP2.47
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride (CID 21082862) is 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride is CC1CCC(C)N1c1ncc(N)cc1N.Cl.Cl.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride?
The InChIKey is LRRBNGHZOOSNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.2ClH/c1-7-3-4-8(2)15(7)11-10(13)5-9(12)6-14-11;;/h5-8H,3-4,12-13H2,1-2H3;2*1H.
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride?
2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride has a molecular weight of 279.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine;dihydrochloride is sourced from PubChem (CID 21082862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).