(4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine

C15H27NO2 — CID 138660439

IUPAC(4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine
SMILESCC1(C)[C@@H]2CCCC(N)[C@@]2(C)CCC12OCCO2
InChIInChI=1S/C15H27NO2/c1-13(2)11-5-4-6-12(16)14(11,3)7-8-15(13)17-9-10-18-15/h11-12H,4-10,16H2,1-3H3/t11-,12?,14-/m0/s1
InChIKeyNLMZKAXUDOSDQS-PSIKVXPXSA-N
MW253.39 g/mol
LogP2.68
Rot. Bonds

About (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine

(4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine (PubChem CID 138660439) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine.

Molecular Properties

Compound Name(4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine
PubChem CID138660439
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine
SMILESCC1(C)[C@@H]2CCCC(N)[C@@]2(C)CCC12OCCO2
InChIInChI=1S/C15H27NO2/c1-13(2)11-5-4-6-12(16)14(11,3)7-8-15(13)17-9-10-18-15/h11-12H,4-10,16H2,1-3H3/t11-,12?,14-/m0/s1
InChIKeyNLMZKAXUDOSDQS-PSIKVXPXSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine?
The IUPAC name of (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine (CID 138660439) is (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine.
What is the SMILES notation for (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine?
The canonical SMILES for (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine is CC1(C)[C@@H]2CCCC(N)[C@@]2(C)CCC12OCCO2.
What is the InChIKey of (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine?
The InChIKey is NLMZKAXUDOSDQS-PSIKVXPXSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(2)11-5-4-6-12(16)14(11,3)7-8-15(13)17-9-10-18-15/h11-12H,4-10,16H2,1-3H3/t11-,12?,14-/m0/s1.
What are the key properties of (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine?
(4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine has a molecular weight of 253.39 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aR,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydro-1H-naphthalene]-1'-amine is sourced from PubChem (CID 138660439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).