2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide

C12H24F3N3O — CID 107494666

IUPAC2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-9(2)4-6-17-11(19)10(3)18(7-5-16)8-12(13,14)15/h9-10H,4-8,16H2,1-3H3,(H,17,19)
InChIKeyJHVZFBWNLAEEQO-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.36
Rot. Bonds8

About 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide

2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 107494666) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID107494666
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-9(2)4-6-17-11(19)10(3)18(7-5-16)8-12(13,14)15/h9-10H,4-8,16H2,1-3H3,(H,17,19)
InChIKeyJHVZFBWNLAEEQO-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
CID 54987708
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide (CID 107494666) is 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is JHVZFBWNLAEEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-9(2)4-6-17-11(19)10(3)18(7-5-16)8-12(13,14)15/h9-10H,4-8,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide?
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 107494666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).