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

C13H25F3N2 — CID 170616799

IUPAC(6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen
SMILESCC(C)N[C@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C)C2.[H][H]
InChIInChI=1S/C13H23F3N2.H2/c1-9(2)17-11-4-5-12(7-18(3)8-12)6-10(11)13(14,15)16;/h9-11,17H,4-8H2,1-3H3;1H/t10-,11-;/m0./s1
InChIKeyPHYIDPSWWCREBN-ACMTZBLWSA-N
MW266.35 g/mol
LogP2.89
Rot. Bonds2

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

(6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen (PubChem CID 170616799) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen.

Molecular Properties

Compound Name(6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen
PubChem CID170616799
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name(6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen
SMILESCC(C)N[C@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C)C2.[H][H]
InChIInChI=1S/C13H23F3N2.H2/c1-9(2)17-11-4-5-12(7-18(3)8-12)6-10(11)13(14,15)16;/h9-11,17H,4-8H2,1-3H3;1H/t10-,11-;/m0./s1
InChIKeyPHYIDPSWWCREBN-ACMTZBLWSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
The IUPAC name of (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen (CID 170616799) is (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen.
What is the SMILES notation for (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
The canonical SMILES for (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen is CC(C)N[C@H]1CCC2(C[C@@H]1C(F)(F)F)CN(C)C2.[H][H].
What is the InChIKey of (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
The InChIKey is PHYIDPSWWCREBN-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H23F3N2.H2/c1-9(2)17-11-4-5-12(7-18(3)8-12)6-10(11)13(14,15)16;/h9-11,17H,4-8H2,1-3H3;1H/t10-,11-;/m0./s1.
What are the key properties of (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
(6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen has a molecular weight of 266.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-2-methyl-N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen is sourced from PubChem (CID 170616799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).