2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H26F3N3O — CID 62008996

IUPAC2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(=O)NCC(F)(F)F)C(CC)(CC)CN
InChIInChI=1S/C13H26F3N3O/c1-4-7-19(12(5-2,6-3)9-17)8-11(20)18-10-13(14,15)16/h4-10,17H2,1-3H3,(H,18,20)
InChIKeyRDMICGFPOUQVIY-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.89
Rot. Bonds9

About 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62008996) has the molecular formula C13H26F3N3O and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62008996
Molecular FormulaC13H26F3N3O
Molecular Weight297.37 g/mol
Exact Mass297.20
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(=O)NCC(F)(F)F)C(CC)(CC)CN
InChIInChI=1S/C13H26F3N3O/c1-4-7-19(12(5-2,6-3)9-17)8-11(20)18-10-13(14,15)16/h4-10,17H2,1-3H3,(H,18,20)
InChIKeyRDMICGFPOUQVIY-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492715
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
CID 62009398
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
CID 62010007
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113468481
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
CID 62009596
2-[bis(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60686227
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
CID 54871547

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62008996) is 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(=O)NCC(F)(F)F)C(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RDMICGFPOUQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-4-7-19(12(5-2,6-3)9-17)8-11(20)18-10-13(14,15)16/h4-10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.37 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62008996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).