(6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

C15H27F3N2 — CID 170447890

IUPAC(6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCC(C)N[C@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C(C)C)C2
InChIInChI=1S/C15H27F3N2/c1-10(2)19-13-5-6-14(7-12(13)15(16,17)18)8-20(9-14)11(3)4/h10-13,19H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyDENLFEBTGVPXIQ-STQMWFEESA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds3

About (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

(6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (PubChem CID 170447890) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Name(6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
PubChem CID170447890
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name(6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCC(C)N[C@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C(C)C)C2
InChIInChI=1S/C15H27F3N2/c1-10(2)19-13-5-6-14(7-12(13)15(16,17)18)8-20(9-14)11(3)4/h10-13,19H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyDENLFEBTGVPXIQ-STQMWFEESA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The IUPAC name of (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (CID 170447890) is (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.
What is the SMILES notation for (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The canonical SMILES for (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is CC(C)N[C@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C(C)C)C2.
What is the InChIKey of (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The InChIKey is DENLFEBTGVPXIQ-STQMWFEESA-N. The full InChI is InChI=1S/C15H27F3N2/c1-10(2)19-13-5-6-14(7-12(13)15(16,17)18)8-20(9-14)11(3)4/h10-13,19H,5-9H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
(6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-N,2-di(propan-2-yl)-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 170447890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).