N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine

C16H25N3O — CID 6518389

IUPACN-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine
SMILESCC(C)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21
InChIInChI=1S/C16H25N3O/c1-11(2)18-20-13(4)10-19-8-6-7-15-16(19)9-12(3)14(5)17-15/h9,13H,6-8,10H2,1-5H3/t13-/m0/s1
InChIKeyOWZIAVBZADURFF-ZDUSSCGKSA-N
MW275.40 g/mol
LogP3.25
Rot. Bonds4

About N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine

N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine (PubChem CID 6518389) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine.

Molecular Properties

Compound NameN-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine
PubChem CID6518389
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine
SMILESCC(C)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21
InChIInChI=1S/C16H25N3O/c1-11(2)18-20-13(4)10-19-8-6-7-15-16(19)9-12(3)14(5)17-15/h9,13H,6-8,10H2,1-5H3/t13-/m0/s1
InChIKeyOWZIAVBZADURFF-ZDUSSCGKSA-N
XLogP3.25
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine?
The IUPAC name of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine (CID 6518389) is N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine.
What is the SMILES notation for N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine?
The canonical SMILES for N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine is CC(C)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21.
What is the InChIKey of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine?
The InChIKey is OWZIAVBZADURFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)18-20-13(4)10-19-8-6-7-15-16(19)9-12(3)14(5)17-15/h9,13H,6-8,10H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine?
N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine has a molecular weight of 275.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-2-yl]oxypropan-2-imine is sourced from PubChem (CID 6518389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).