1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine

C14H23N3O2 — CID 118038593

IUPAC1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine
SMILESCNC(C)c1cc2c(nc1C(OC)OC)NCCC2
InChIInChI=1S/C14H23N3O2/c1-9(15-2)11-8-10-6-5-7-16-13(10)17-12(11)14(18-3)19-4/h8-9,14-15H,5-7H2,1-4H3,(H,16,17)
InChIKeyBWEPPAFACJEYIQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine

1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine (PubChem CID 118038593) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine
PubChem CID118038593
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine
SMILESCNC(C)c1cc2c(nc1C(OC)OC)NCCC2
InChIInChI=1S/C14H23N3O2/c1-9(15-2)11-8-10-6-5-7-16-13(10)17-12(11)14(18-3)19-4/h8-9,14-15H,5-7H2,1-4H3,(H,16,17)
InChIKeyBWEPPAFACJEYIQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 118036794
7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 118036593
6-methyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139422166
1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 118036449
N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 118036906
(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one
CID 118036514
(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one
CID 118036291
2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 166941093
2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 153425222
benzyl-[1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl]carbamic acid
CID 118036305
7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
6-ethoxy-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 133059709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine (CID 118038593) is 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine is CNC(C)c1cc2c(nc1C(OC)OC)NCCC2.
What is the InChIKey of 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine?
The InChIKey is BWEPPAFACJEYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(15-2)11-8-10-6-5-7-16-13(10)17-12(11)14(18-3)19-4/h8-9,14-15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine?
1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine is sourced from PubChem (CID 118038593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).