2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine

C12H19N3O — CID 104740240

IUPAC2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine
SMILESCC1OCCC1N(C)Cc1ncccc1N
InChIInChI=1S/C12H19N3O/c1-9-12(5-7-16-9)15(2)8-11-10(13)4-3-6-14-11/h3-4,6,9,12H,5,7-8,13H2,1-2H3
InChIKeyKUDOZAKQYYKJRO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds3

About 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine

2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine (PubChem CID 104740240) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine
PubChem CID104740240
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine
SMILESCC1OCCC1N(C)Cc1ncccc1N
InChIInChI=1S/C12H19N3O/c1-9-12(5-7-16-9)15(2)8-11-10(13)4-3-6-14-11/h3-4,6,9,12H,5,7-8,13H2,1-2H3
InChIKeyKUDOZAKQYYKJRO-UHFFFAOYSA-N
XLogP1.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine (CID 104740240) is 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine is CC1OCCC1N(C)Cc1ncccc1N.
What is the InChIKey of 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine?
The InChIKey is KUDOZAKQYYKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-12(5-7-16-9)15(2)8-11-10(13)4-3-6-14-11/h3-4,6,9,12H,5,7-8,13H2,1-2H3.
What are the key properties of 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine?
2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 104740240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).