1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine

C13H19N3 — CID 70912867

IUPAC1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine
SMILESCN(CC1=NCCC=C1)CC1CC=CC=N1
InChIInChI=1S/C13H19N3/c1-16(10-12-6-2-4-8-14-12)11-13-7-3-5-9-15-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyFUGHAULMWDCLKT-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.72
Rot. Bonds4

About 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine

1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine (PubChem CID 70912867) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine
PubChem CID70912867
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine
SMILESCN(CC1=NCCC=C1)CC1CC=CC=N1
InChIInChI=1S/C13H19N3/c1-16(10-12-6-2-4-8-14-12)11-13-7-3-5-9-15-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyFUGHAULMWDCLKT-UHFFFAOYSA-N
XLogP1.72
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine (CID 70912867) is 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine is CN(CC1=NCCC=C1)CC1CC=CC=N1.
What is the InChIKey of 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine?
The InChIKey is FUGHAULMWDCLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-16(10-12-6-2-4-8-14-12)11-13-7-3-5-9-15-13/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine?
1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine has a molecular weight of 217.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 70912867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).