2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine

C15H27F3N2 — CID 66775934

IUPAC2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
SMILESCCC(CC)CNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C15H27F3N2/c1-3-11(4-2)7-19-8-12-13-9-20(10-14(12)13)6-5-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyAIJPUPWKDSSAKT-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.14
Rot. Bonds8

About 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine

2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine (PubChem CID 66775934) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
PubChem CID66775934
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
SMILESCCC(CC)CNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C15H27F3N2/c1-3-11(4-2)7-19-8-12-13-9-20(10-14(12)13)6-5-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyAIJPUPWKDSSAKT-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine (CID 66775934) is 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine is CCC(CC)CNCC1C2CN(CCC(F)(F)F)CC12.
What is the InChIKey of 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
The InChIKey is AIJPUPWKDSSAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-3-11(4-2)7-19-8-12-13-9-20(10-14(12)13)6-5-15(16,17)18/h11-14,19H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine is sourced from PubChem (CID 66775934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).