1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium

C14H23N2+ — CID 154613216

IUPAC1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium
SMILESCC(C)N1CCCc2cc[n+](C(C)C)cc21
InChIInChI=1S/C14H23N2/c1-11(2)15-9-7-13-6-5-8-16(12(3)4)14(13)10-15/h7,9-12H,5-6,8H2,1-4H3/q+1
InChIKeyLYAUSLAPGLOEBE-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.72
Rot. Bonds2

About 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium

1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium (PubChem CID 154613216) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium
PubChem CID154613216
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium
SMILESCC(C)N1CCCc2cc[n+](C(C)C)cc21
InChIInChI=1S/C14H23N2/c1-11(2)15-9-7-13-6-5-8-16(12(3)4)14(13)10-15/h7,9-12H,5-6,8H2,1-4H3/q+1
InChIKeyLYAUSLAPGLOEBE-UHFFFAOYSA-N
XLogP2.72
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanamine
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1,4-di(propan-2-yl)-2,3-dihydropyrrolo[3,2-b]pyridin-4-ium
CID 89458372
5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382679
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(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 177122967
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CID 142617795
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
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Frequently Asked Questions

What is the IUPAC name of 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium?
The IUPAC name of 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium (CID 154613216) is 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium.
What is the SMILES notation for 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium?
The canonical SMILES for 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium is CC(C)N1CCCc2cc[n+](C(C)C)cc21.
What is the InChIKey of 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium?
The InChIKey is LYAUSLAPGLOEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2/c1-11(2)15-9-7-13-6-5-8-16(12(3)4)14(13)10-15/h7,9-12H,5-6,8H2,1-4H3/q+1.
What are the key properties of 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium?
1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium has a molecular weight of 219.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium is sourced from PubChem (CID 154613216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).