1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine

C7H12N2 — CID 123777305

IUPAC1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine
SMILESCNCC1=CC=NCC1
InChIInChI=1S/C7H12N2/c1-8-6-7-2-4-9-5-3-7/h2,4,8H,3,5-6H2,1H3
InChIKeyRRRFLKXNHPTMMT-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.61
Rot. Bonds2

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

1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine (PubChem CID 123777305) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine
PubChem CID123777305
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine
SMILESCNCC1=CC=NCC1
InChIInChI=1S/C7H12N2/c1-8-6-7-2-4-9-5-3-7/h2,4,8H,3,5-6H2,1H3
InChIKeyRRRFLKXNHPTMMT-UHFFFAOYSA-N
XLogP0.61
TPSA24.39 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine (CID 123777305) is 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine is CNCC1=CC=NCC1.
What is the InChIKey of 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine?
The InChIKey is RRRFLKXNHPTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-6-7-2-4-9-5-3-7/h2,4,8H,3,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine?
1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 123777305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).