3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine

C12H19N3 — CID 66467880

IUPAC3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine
SMILESCC(C)C1(c2cnccc2N)CCCN1
InChIInChI=1S/C12H19N3/c1-9(2)12(5-3-6-15-12)10-8-14-7-4-11(10)13/h4,7-9,15H,3,5-6H2,1-2H3,(H2,13,14)
InChIKeyXGBGNHKMYLGDHS-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.90
Rot. Bonds2

About 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine

3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine (PubChem CID 66467880) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine
PubChem CID66467880
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine
SMILESCC(C)C1(c2cnccc2N)CCCN1
InChIInChI=1S/C12H19N3/c1-9(2)12(5-3-6-15-12)10-8-14-7-4-11(10)13/h4,7-9,15H,3,5-6H2,1-2H3,(H2,13,14)
InChIKeyXGBGNHKMYLGDHS-UHFFFAOYSA-N
XLogP1.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine?
The IUPAC name of 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine (CID 66467880) is 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine?
The canonical SMILES for 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine is CC(C)C1(c2cnccc2N)CCCN1.
What is the InChIKey of 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine?
The InChIKey is XGBGNHKMYLGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)12(5-3-6-15-12)10-8-14-7-4-11(10)13/h4,7-9,15H,3,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine?
3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylpyrrolidin-2-yl)pyridin-4-amine is sourced from PubChem (CID 66467880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).