N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine

C18H29N3O2 — CID 97463756

IUPACN,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1cncc2c1CCN(C1CCOCC1)C2
InChIInChI=1S/C18H29N3O2/c1-20(2)7-10-23-14-16-12-19-11-15-13-21(6-3-18(15)16)17-4-8-22-9-5-17/h11-12,17H,3-10,13-14H2,1-2H3
InChIKeyGLPNPEIQXWGJRC-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.70
Rot. Bonds6

About N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine

N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine (PubChem CID 97463756) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
PubChem CID97463756
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1cncc2c1CCN(C1CCOCC1)C2
InChIInChI=1S/C18H29N3O2/c1-20(2)7-10-23-14-16-12-19-11-15-13-21(6-3-18(15)16)17-4-8-22-9-5-17/h11-12,17H,3-10,13-14H2,1-2H3
InChIKeyGLPNPEIQXWGJRC-UHFFFAOYSA-N
XLogP1.70
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine (CID 97463756) is N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine is CN(C)CCOCc1cncc2c1CCN(C1CCOCC1)C2.
What is the InChIKey of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
The InChIKey is GLPNPEIQXWGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(2)7-10-23-14-16-12-19-11-15-13-21(6-3-18(15)16)17-4-8-22-9-5-17/h11-12,17H,3-10,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine has a molecular weight of 319.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine is sourced from PubChem (CID 97463756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).