2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H18F3N3O — CID 61492715

IUPAC2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-2-4-15(5-3-13)6-8(16)14-7-9(10,11)12/h2-7,13H2,1H3,(H,14,16)
InChIKeyXIVIMDDNQYPBLN-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.34
Rot. Bonds7

About 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492715) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492715
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-2-4-15(5-3-13)6-8(16)14-7-9(10,11)12/h2-7,13H2,1H3,(H,14,16)
InChIKeyXIVIMDDNQYPBLN-UHFFFAOYSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113468481
2-[bis(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60686227
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78787831
2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
CID 43137300
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492715) is 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CCN)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XIVIMDDNQYPBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-2-4-15(5-3-13)6-8(16)14-7-9(10,11)12/h2-7,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 241.26 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).