(4-methoxy-1,2-dihydropyridin-3-yl)methanamine

C7H12N2O — CID 146420503

IUPAC(4-methoxy-1,2-dihydropyridin-3-yl)methanamine
SMILESCOC1=C(CN)CNC=C1
InChIInChI=1S/C7H12N2O/c1-10-7-2-3-9-5-6(7)4-8/h2-3,9H,4-5,8H2,1H3
InChIKeyBVLNYPFAHWIXON-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.04
Rot. Bonds2

About (4-methoxy-1,2-dihydropyridin-3-yl)methanamine

(4-methoxy-1,2-dihydropyridin-3-yl)methanamine (PubChem CID 146420503) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (4-methoxy-1,2-dihydropyridin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1,2-dihydropyridin-3-yl)methanamine
PubChem CID146420503
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(4-methoxy-1,2-dihydropyridin-3-yl)methanamine
SMILESCOC1=C(CN)CNC=C1
InChIInChI=1S/C7H12N2O/c1-10-7-2-3-9-5-6(7)4-8/h2-3,9H,4-5,8H2,1H3
InChIKeyBVLNYPFAHWIXON-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 (4-methoxy-1,2-dihydropyridin-3-yl)methanamine?
The IUPAC name of (4-methoxy-1,2-dihydropyridin-3-yl)methanamine (CID 146420503) is (4-methoxy-1,2-dihydropyridin-3-yl)methanamine.
What is the SMILES notation for (4-methoxy-1,2-dihydropyridin-3-yl)methanamine?
The canonical SMILES for (4-methoxy-1,2-dihydropyridin-3-yl)methanamine is COC1=C(CN)CNC=C1.
What is the InChIKey of (4-methoxy-1,2-dihydropyridin-3-yl)methanamine?
The InChIKey is BVLNYPFAHWIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-7-2-3-9-5-6(7)4-8/h2-3,9H,4-5,8H2,1H3.
What are the key properties of (4-methoxy-1,2-dihydropyridin-3-yl)methanamine?
(4-methoxy-1,2-dihydropyridin-3-yl)methanamine 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 (4-methoxy-1,2-dihydropyridin-3-yl)methanamine is sourced from PubChem (CID 146420503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).