(4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine

C14H26N2O2 — CID 67915702

IUPAC(4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine
SMILESCCCN1CC[C@H](N)[C@H]2CC3(CC[C@@H]21)OCCO3
InChIInChI=1S/C14H26N2O2/c1-2-6-16-7-4-12(15)11-10-14(5-3-13(11)16)17-8-9-18-14/h11-13H,2-10,15H2,1H3/t11-,12+,13+/m1/s1
InChIKeyOXBOSLCANAXQGE-AGIUHOORSA-N
MW254.37 g/mol
LogP1.34
Rot. Bonds2

About (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine

(4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine (PubChem CID 67915702) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine.

Molecular Properties

Compound Name(4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine
PubChem CID67915702
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine
SMILESCCCN1CC[C@H](N)[C@H]2CC3(CC[C@@H]21)OCCO3
InChIInChI=1S/C14H26N2O2/c1-2-6-16-7-4-12(15)11-10-14(5-3-13(11)16)17-8-9-18-14/h11-13H,2-10,15H2,1H3/t11-,12+,13+/m1/s1
InChIKeyOXBOSLCANAXQGE-AGIUHOORSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine?
The IUPAC name of (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine (CID 67915702) is (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine.
What is the SMILES notation for (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine?
The canonical SMILES for (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine is CCCN1CC[C@H](N)[C@H]2CC3(CC[C@@H]21)OCCO3.
What is the InChIKey of (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine?
The InChIKey is OXBOSLCANAXQGE-AGIUHOORSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-6-16-7-4-12(15)11-10-14(5-3-13(11)16)17-8-9-18-14/h11-13H,2-10,15H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine?
(4'S,4'aR,8'aS)-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 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine is sourced from PubChem (CID 67915702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).