3-(methoxymethyl)-1,2-dihydropyridin-2-amine

C7H12N2O — CID 173058151

IUPAC3-(methoxymethyl)-1,2-dihydropyridin-2-amine
SMILESCOCC1=CC=CNC1N
InChIInChI=1S/C7H12N2O/c1-10-5-6-3-2-4-9-7(6)8/h2-4,7,9H,5,8H2,1H3
InChIKeyBNWTULZNNBAGSY-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.04
Rot. Bonds2

About 3-(methoxymethyl)-1,2-dihydropyridin-2-amine

3-(methoxymethyl)-1,2-dihydropyridin-2-amine (PubChem CID 173058151) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2-dihydropyridin-2-amine
PubChem CID173058151
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(methoxymethyl)-1,2-dihydropyridin-2-amine
SMILESCOCC1=CC=CNC1N
InChIInChI=1S/C7H12N2O/c1-10-5-6-3-2-4-9-7(6)8/h2-4,7,9H,5,8H2,1H3
InChIKeyBNWTULZNNBAGSY-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 3-(methoxymethyl)-1,2-dihydropyridin-2-amine (CID 173058151) is 3-(methoxymethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3-(methoxymethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3-(methoxymethyl)-1,2-dihydropyridin-2-amine is COCC1=CC=CNC1N.
What is the InChIKey of 3-(methoxymethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is BNWTULZNNBAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-5-6-3-2-4-9-7(6)8/h2-4,7,9H,5,8H2,1H3.
What are the key properties of 3-(methoxymethyl)-1,2-dihydropyridin-2-amine?
3-(methoxymethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 140.19 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 173058151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).