2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine

C13H22F3N3 — CID 112541034

IUPAC2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
SMILESCN1CC2C3CCN(CC3)C2C1CNCC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-18-7-10-9-2-4-19(5-3-9)12(10)11(18)6-17-8-13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyRDDAFJYKKHWNMN-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.16
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine (PubChem CID 112541034) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
PubChem CID112541034
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
SMILESCN1CC2C3CCN(CC3)C2C1CNCC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-18-7-10-9-2-4-19(5-3-9)12(10)11(18)6-17-8-13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyRDDAFJYKKHWNMN-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine with MolForge

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Related Compounds

methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
CID 83985995
1,1,1-trifluoro-2-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propan-2-ol
CID 112541031
methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
CID 83986068
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
CID 112541055
2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
CID 83983142
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carbonitrile
CID 112541060
1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83983520
N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260589
1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
CID 83986048
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine (CID 112541034) is 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine is CN1CC2C3CCN(CC3)C2C1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine?
The InChIKey is RDDAFJYKKHWNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-18-7-10-9-2-4-19(5-3-9)12(10)11(18)6-17-8-13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine has a molecular weight of 277.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine is sourced from PubChem (CID 112541034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).