N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine

C12H19N3 — CID 171586283

IUPACN-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine
SMILESCc1cnc(NC2CNC2)cc1C(C)C
InChIInChI=1S/C12H19N3/c1-8(2)11-4-12(14-5-9(11)3)15-10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyMFLWCIHWFNWNFZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.90
Rot. Bonds3

About N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine

N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine (PubChem CID 171586283) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine
PubChem CID171586283
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine
SMILESCc1cnc(NC2CNC2)cc1C(C)C
InChIInChI=1S/C12H19N3/c1-8(2)11-4-12(14-5-9(11)3)15-10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyMFLWCIHWFNWNFZ-UHFFFAOYSA-N
XLogP1.90
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine (CID 171586283) is N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine is Cc1cnc(NC2CNC2)cc1C(C)C.
What is the InChIKey of N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine?
The InChIKey is MFLWCIHWFNWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)11-4-12(14-5-9(11)3)15-10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine?
N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine has a molecular weight of 205.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 171586283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).