1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine

C14H26N2O2 — CID 70393791

IUPAC1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine
SMILESCCCN1CCCC2CC3(CCC21)OCC(N)O3
InChIInChI=1S/C14H26N2O2/c1-2-7-16-8-3-4-11-9-14(6-5-12(11)16)17-10-13(15)18-14/h11-13H,2-10,15H2,1H3
InChIKeyDWGASXXCNUPTJE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.69
Rot. Bonds2

About 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine

1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine (PubChem CID 70393791) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine.

Molecular Properties

Compound Name1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine
PubChem CID70393791
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine
SMILESCCCN1CCCC2CC3(CCC21)OCC(N)O3
InChIInChI=1S/C14H26N2O2/c1-2-7-16-8-3-4-11-9-14(6-5-12(11)16)17-10-13(15)18-14/h11-13H,2-10,15H2,1H3
InChIKeyDWGASXXCNUPTJE-UHFFFAOYSA-N
XLogP1.69
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine?
The IUPAC name of 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine (CID 70393791) is 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine.
What is the SMILES notation for 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine?
The canonical SMILES for 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine is CCCN1CCCC2CC3(CCC21)OCC(N)O3.
What is the InChIKey of 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine?
The InChIKey is DWGASXXCNUPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-7-16-8-3-4-11-9-14(6-5-12(11)16)17-10-13(15)18-14/h11-13H,2-10,15H2,1H3.
What are the key properties of 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine?
1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine has a molecular weight of 254.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4-amine is sourced from PubChem (CID 70393791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).