3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C10H16F3N3O — CID 129269391

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCN1CC2CCC(C1)N2C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-15-4-7-2-3-8(5-15)16(7)9(17)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,17)
InChIKeyJWGRFWRQVYDXHP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.04
Rot. Bonds1

About 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 129269391) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID129269391
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCN1CC2CCC(C1)N2C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-15-4-7-2-3-8(5-15)16(7)9(17)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,17)
InChIKeyJWGRFWRQVYDXHP-UHFFFAOYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 129269391) is 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is CN1CC2CCC(C1)N2C(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is JWGRFWRQVYDXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-15-4-7-2-3-8(5-15)16(7)9(17)14-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,17).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 129269391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).