4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine

C12H20N4 — CID 146934243

IUPAC4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CNc1cc(N2CC(N)C2)ccn1
InChIInChI=1S/C12H20N4/c1-9(2)6-15-12-5-11(3-4-14-12)16-7-10(13)8-16/h3-5,9-10H,6-8,13H2,1-2H3,(H,14,15)
InChIKeyAFPKMDGVRFWTOP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.30
Rot. Bonds4

About 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine

4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 146934243) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
PubChem CID146934243
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CNc1cc(N2CC(N)C2)ccn1
InChIInChI=1S/C12H20N4/c1-9(2)6-15-12-5-11(3-4-14-12)16-7-10(13)8-16/h3-5,9-10H,6-8,13H2,1-2H3,(H,14,15)
InChIKeyAFPKMDGVRFWTOP-UHFFFAOYSA-N
XLogP1.30
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine (CID 146934243) is 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine is CC(C)CNc1cc(N2CC(N)C2)ccn1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is AFPKMDGVRFWTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)6-15-12-5-11(3-4-14-12)16-7-10(13)8-16/h3-5,9-10H,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine?
4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 146934243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).