N-benzyl-N-methyl-3,4-dihydropyridin-2-amine

C13H16N2 — CID 57126131

IUPACN-benzyl-N-methyl-3,4-dihydropyridin-2-amine
SMILESCN(Cc1ccccc1)C1=NC=CCC1
InChIInChI=1S/C13H16N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-4,6-8,10H,5,9,11H2,1H3
InChIKeyLULAGAQMALPJBA-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.82
Rot. Bonds2

About N-benzyl-N-methyl-3,4-dihydropyridin-2-amine

N-benzyl-N-methyl-3,4-dihydropyridin-2-amine (PubChem CID 57126131) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-benzyl-N-methyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3,4-dihydropyridin-2-amine
PubChem CID57126131
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-benzyl-N-methyl-3,4-dihydropyridin-2-amine
SMILESCN(Cc1ccccc1)C1=NC=CCC1
InChIInChI=1S/C13H16N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-4,6-8,10H,5,9,11H2,1H3
InChIKeyLULAGAQMALPJBA-UHFFFAOYSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-3,4-dihydropyridin-2-amine (CID 57126131) is N-benzyl-N-methyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-3,4-dihydropyridin-2-amine is CN(Cc1ccccc1)C1=NC=CCC1.
What is the InChIKey of N-benzyl-N-methyl-3,4-dihydropyridin-2-amine?
The InChIKey is LULAGAQMALPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-4,6-8,10H,5,9,11H2,1H3.
What are the key properties of N-benzyl-N-methyl-3,4-dihydropyridin-2-amine?
N-benzyl-N-methyl-3,4-dihydropyridin-2-amine has a molecular weight of 200.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 57126131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).