[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C13H21F3N4O — CID 129269839

IUPAC[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCNN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N4O/c1-17-19-7-10-2-3-11(8-19)20(10)12(21)18-5-4-9(6-18)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeySATLPGVBLYTNIR-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.27
Rot. Bonds1

About [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 129269839) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID129269839
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCNN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N4O/c1-17-19-7-10-2-3-11(8-19)20(10)12(21)18-5-4-9(6-18)13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeySATLPGVBLYTNIR-UHFFFAOYSA-N
XLogP1.27
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269838
3,8-Diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129270141
(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 145770813
3-amino-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 154662980
(3,3-Difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 162614635
(3-Amino-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 162614658

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 129269839) is [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is CNN1CC2CCC(C1)N2C(=O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SATLPGVBLYTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-17-19-7-10-2-3-11(8-19)20(10)12(21)18-5-4-9(6-18)13(14,15)16/h9-11,17H,2-8H2,1H3.
What are the key properties of [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 306.33 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129269839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).