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

C14H27F3N2 — CID 170617166

IUPACN-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen
SMILESCCNC1CCC2(CC1C(F)(F)F)CN(C(C)C)C2.[H][H]
InChIInChI=1S/C14H25F3N2.H2/c1-4-18-12-5-6-13(7-11(12)14(15,16)17)8-19(9-13)10(2)3;/h10-12,18H,4-9H2,1-3H3;1H
InChIKeyVJIHEZZEVGKEIO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds3

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

N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen (PubChem CID 170617166) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen
PubChem CID170617166
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen
SMILESCCNC1CCC2(CC1C(F)(F)F)CN(C(C)C)C2.[H][H]
InChIInChI=1S/C14H25F3N2.H2/c1-4-18-12-5-6-13(7-11(12)14(15,16)17)8-19(9-13)10(2)3;/h10-12,18H,4-9H2,1-3H3;1H
InChIKeyVJIHEZZEVGKEIO-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
The IUPAC name of N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen (CID 170617166) is N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen is CCNC1CCC2(CC1C(F)(F)F)CN(C(C)C)C2.[H][H].
What is the InChIKey of N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
The InChIKey is VJIHEZZEVGKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2.H2/c1-4-18-12-5-6-13(7-11(12)14(15,16)17)8-19(9-13)10(2)3;/h10-12,18H,4-9H2,1-3H3;1H.
What are the key properties of N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen?
N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen has a molecular weight of 280.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine;molecular hydrogen is sourced from PubChem (CID 170617166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).