N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine

C16H26FN3O — CID 153342644

IUPACN-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
SMILESCOCC(F)CNCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C16H26FN3O/c1-21-12-14(17)11-18-9-3-2-6-15-8-7-13-5-4-10-19-16(13)20-15/h7-8,14,18H,2-6,9-12H2,1H3,(H,19,20)
InChIKeyIHJHEJKVIKGBCU-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.34
Rot. Bonds9

About N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine

N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine (PubChem CID 153342644) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
PubChem CID153342644
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
SMILESCOCC(F)CNCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C16H26FN3O/c1-21-12-14(17)11-18-9-3-2-6-15-8-7-13-5-4-10-19-16(13)20-15/h7-8,14,18H,2-6,9-12H2,1H3,(H,19,20)
InChIKeyIHJHEJKVIKGBCU-UHFFFAOYSA-N
XLogP2.34
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The IUPAC name of N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine (CID 153342644) is N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The canonical SMILES for N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine is COCC(F)CNCCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The InChIKey is IHJHEJKVIKGBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-21-12-14(17)11-18-9-3-2-6-15-8-7-13-5-4-10-19-16(13)20-15/h7-8,14,18H,2-6,9-12H2,1H3,(H,19,20).
What are the key properties of N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methoxypropyl)-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine is sourced from PubChem (CID 153342644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).