N-methyl-1-(2H-pyridin-1-yl)methanamine

C7H12N2 — CID 118433391

IUPACN-methyl-1-(2H-pyridin-1-yl)methanamine
SMILESCNCN1C=CC=CC1
InChIInChI=1S/C7H12N2/c1-8-7-9-5-3-2-4-6-9/h2-5,8H,6-7H2,1H3
InChIKeyOPXIBDFTIORTKF-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.55
Rot. Bonds2

About N-methyl-1-(2H-pyridin-1-yl)methanamine

N-methyl-1-(2H-pyridin-1-yl)methanamine (PubChem CID 118433391) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-1-(2H-pyridin-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2H-pyridin-1-yl)methanamine
PubChem CID118433391
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-1-(2H-pyridin-1-yl)methanamine
SMILESCNCN1C=CC=CC1
InChIInChI=1S/C7H12N2/c1-8-7-9-5-3-2-4-6-9/h2-5,8H,6-7H2,1H3
InChIKeyOPXIBDFTIORTKF-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2H-pyridin-1-yl)methanamine?
The IUPAC name of N-methyl-1-(2H-pyridin-1-yl)methanamine (CID 118433391) is N-methyl-1-(2H-pyridin-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2H-pyridin-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(2H-pyridin-1-yl)methanamine is CNCN1C=CC=CC1.
What is the InChIKey of N-methyl-1-(2H-pyridin-1-yl)methanamine?
The InChIKey is OPXIBDFTIORTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-7-9-5-3-2-4-6-9/h2-5,8H,6-7H2,1H3.
What are the key properties of N-methyl-1-(2H-pyridin-1-yl)methanamine?
N-methyl-1-(2H-pyridin-1-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2H-pyridin-1-yl)methanamine is sourced from PubChem (CID 118433391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).