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

C13H23F3N2 — CID 170616711

IUPAC(6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCN[C@@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C(C)C)C2
InChIInChI=1S/C13H23F3N2/c1-9(2)18-7-12(8-18)5-4-11(17-3)10(6-12)13(14,15)16/h9-11,17H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyNMWCDKAAMVNWGM-WDEREUQCSA-N
MW264.33 g/mol
LogP2.65
Rot. Bonds2

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

(6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (PubChem CID 170616711) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Name(6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
PubChem CID170616711
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name(6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCN[C@@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C(C)C)C2
InChIInChI=1S/C13H23F3N2/c1-9(2)18-7-12(8-18)5-4-11(17-3)10(6-12)13(14,15)16/h9-11,17H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyNMWCDKAAMVNWGM-WDEREUQCSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The IUPAC name of (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (CID 170616711) is (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.
What is the SMILES notation for (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The canonical SMILES for (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is CN[C@@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C(C)C)C2.
What is the InChIKey of (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The InChIKey is NMWCDKAAMVNWGM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-9(2)18-7-12(8-18)5-4-11(17-3)10(6-12)13(14,15)16/h9-11,17H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
(6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine has a molecular weight of 264.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-N-methyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 170616711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).