N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine

C8H14N2 — CID 123600926

IUPACN-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine
SMILESCNCC1=CC=NCC1C
InChIInChI=1S/C8H14N2/c1-7-5-10-4-3-8(7)6-9-2/h3-4,7,9H,5-6H2,1-2H3
InChIKeyHNMSOEXRACKROE-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.85
Rot. Bonds2

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

N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine (PubChem CID 123600926) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine
PubChem CID123600926
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine
SMILESCNCC1=CC=NCC1C
InChIInChI=1S/C8H14N2/c1-7-5-10-4-3-8(7)6-9-2/h3-4,7,9H,5-6H2,1-2H3
InChIKeyHNMSOEXRACKROE-UHFFFAOYSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine (CID 123600926) is N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine is CNCC1=CC=NCC1C.
What is the InChIKey of N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine?
The InChIKey is HNMSOEXRACKROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-5-10-4-3-8(7)6-9-2/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine?
N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine is sourced from PubChem (CID 123600926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).