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

C11H18N4 — CID 21082863

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine
SMILESCC1CCC(C)N1c1ncc(N)cc1N
InChIInChI=1S/C11H18N4/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
InChIKeyFDCCUJSBMGQICI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds1

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

2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine (PubChem CID 21082863) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine
PubChem CID21082863
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine
SMILESCC1CCC(C)N1c1ncc(N)cc1N
InChIInChI=1S/C11H18N4/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
InChIKeyFDCCUJSBMGQICI-UHFFFAOYSA-N
XLogP1.62
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 43345
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CID 81130
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CID 9956
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CID 20314
CID 20314
CID 43344
CID 43344
CID 43347
CID 43347
CID 3042790
CID 3042790
CID 90273
CID 90273
CID 589729
CID 589729
CID 10679091
CID 10679091
CID 16654686
CID 16654686
CID 44547268
CID 44547268

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine (CID 21082863) is 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine is CC1CCC(C)N1c1ncc(N)cc1N.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine?
The InChIKey is FDCCUJSBMGQICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/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.
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine?
2-(2,5-dimethylpyrrolidin-1-yl)pyridine-3,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.62, 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 is sourced from PubChem (CID 21082863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).