4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine

C13H22N4 — CID 44547127

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1
InChIInChI=1S/C13H22N4/c1-10(2)16-13-8-12(4-6-15-13)17-7-5-11(9-17)14-3/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyBVMYJSFGALTWOF-LLVKDONJSA-N
MW234.35 g/mol
LogP1.70
Rot. Bonds4

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine (PubChem CID 44547127) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
PubChem CID44547127
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1
InChIInChI=1S/C13H22N4/c1-10(2)16-13-8-12(4-6-15-13)17-7-5-11(9-17)14-3/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyBVMYJSFGALTWOF-LLVKDONJSA-N
XLogP1.70
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine (CID 44547127) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine is CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is BVMYJSFGALTWOF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)16-13-8-12(4-6-15-13)17-7-5-11(9-17)14-3/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 44547127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).