9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C11H18F3N3O — CID 113246476

IUPAC9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NCC(F)(F)F)CC2
InChIInChI=1S/C11H18F3N3O/c1-16-8-2-3-9(16)6-17(5-4-8)10(18)15-7-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,18)
InChIKeyUKBAUEIZFSXMPP-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.43
Rot. Bonds1

About 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 113246476) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID113246476
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NCC(F)(F)F)CC2
InChIInChI=1S/C11H18F3N3O/c1-16-8-2-3-9(16)6-17(5-4-8)10(18)15-7-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,18)
InChIKeyUKBAUEIZFSXMPP-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 113246476) is 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1C2CCC1CN(C(=O)NCC(F)(F)F)CC2.
What is the InChIKey of 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is UKBAUEIZFSXMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-16-8-2-3-9(16)6-17(5-4-8)10(18)15-7-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,18).
What are the key properties of 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 113246476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).