2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide

C35H52I3N7 — CID 157369051

About 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide

2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide (PubChem CID 157369051) has the molecular formula C35H52I3N7 and a molecular weight of 951.56 g/mol. Its IUPAC name is 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide.

Molecular Properties

• Compound Name: 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide
• PubChem CID: 157369051
• Molecular Formula: C35H52I3N7
• Molecular Weight: 951.56 g/mol
• Exact Mass: 951.14
• IUPAC Name: 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide
• SMILES: CCCCc1ccc2c(n1)NCCC2.CCCCc1ccc2cccnc2n1.I.II.NCCCc1ccc2c(n1)NCCC2.[H][H]
• InChI: InChI=1S/C12H18N2.C12H14N2.C11H17N3.I2.HI.H2/c2*1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;1-2;;/h7-8H,2-6,9H2,1H3,(H,13,14);4-5,7-9H,2-3,6H2,1H3;5-6H,1-4,7-8,12H2,(H,13,14);;2*1H
• InChIKey: GQUIZRABKQRHBQ-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 101.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.56
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide?

The IUPAC name of 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide (CID 157369051) is 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide.

What is the SMILES notation for 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide?

The canonical SMILES for 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide is CCCCc1ccc2c(n1)NCCC2.CCCCc1ccc2cccnc2n1.I.II.NCCCc1ccc2c(n1)NCCC2.[H][H].

What is the InChIKey of 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide?

The InChIKey is GQUIZRABKQRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C12H14N2.C11H17N3.I2.HI.H2/c2*1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10;1-2;;/h7-8H,2-6,9H2,1H3,(H,13,14);4-5,7-9H,2-3,6H2,1H3;5-6H,1-4,7-8,12H2,(H,13,14);;2*1H.

What are the key properties of 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide?

2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide has a molecular weight of 951.56 g/mol, XLogP of 9.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-1,8-naphthyridine;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen;molecular iodine;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine;hydroiodide is sourced from PubChem (CID 157369051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).