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

C18H30N4O2 — CID 118036449

IUPAC1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOC(OC)c1nc2c(cc1CN1CCC(N(C)C)C1)CCCN2
InChIInChI=1S/C18H30N4O2/c1-21(2)15-7-9-22(12-15)11-14-10-13-6-5-8-19-17(13)20-16(14)18(23-3)24-4/h10,15,18H,5-9,11-12H2,1-4H3,(H,19,20)
InChIKeyUOVZEBZYGAQDTD-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.87
Rot. Bonds6

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

1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 118036449) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID118036449
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOC(OC)c1nc2c(cc1CN1CCC(N(C)C)C1)CCCN2
InChIInChI=1S/C18H30N4O2/c1-21(2)15-7-9-22(12-15)11-14-10-13-6-5-8-19-17(13)20-16(14)18(23-3)24-4/h10,15,18H,5-9,11-12H2,1-4H3,(H,19,20)
InChIKeyUOVZEBZYGAQDTD-UHFFFAOYSA-N
XLogP1.87
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 118036449) is 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is COC(OC)c1nc2c(cc1CN1CCC(N(C)C)C1)CCCN2.
What is the InChIKey of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is UOVZEBZYGAQDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-21(2)15-7-9-22(12-15)11-14-10-13-6-5-8-19-17(13)20-16(14)18(23-3)24-4/h10,15,18H,5-9,11-12H2,1-4H3,(H,19,20).
What are the key properties of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 334.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 118036449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).