1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine

C15H25F3N2 — CID 83983520

IUPAC1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(CC1CC2C3CCN(CC3)C2C1)NCC(F)(F)F
InChIInChI=1S/C15H25F3N2/c1-10(19-9-15(16,17)18)6-11-7-13-12-2-4-20(5-3-12)14(13)8-11/h10-14,19H,2-9H2,1H3
InChIKeyJPCXOHORAAFPOG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.04
Rot. Bonds4

About 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine

1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 83983520) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID83983520
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(CC1CC2C3CCN(CC3)C2C1)NCC(F)(F)F
InChIInChI=1S/C15H25F3N2/c1-10(19-9-15(16,17)18)6-11-7-13-12-2-4-20(5-3-12)14(13)8-11/h10-14,19H,2-9H2,1H3
InChIKeyJPCXOHORAAFPOG-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 83983520) is 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(CC1CC2C3CCN(CC3)C2C1)NCC(F)(F)F.
What is the InChIKey of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is JPCXOHORAAFPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-10(19-9-15(16,17)18)6-11-7-13-12-2-4-20(5-3-12)14(13)8-11/h10-14,19H,2-9H2,1H3.
What are the key properties of 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 290.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 83983520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).