N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

C12H20F6N4O2 — CID 157072030

IUPACN-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESNCCCN(CCN(CCCN)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C12H20F6N4O2/c13-11(14,15)9(23)21(5-1-3-19)7-8-22(6-2-4-20)10(24)12(16,17)18/h1-8,19-20H2
InChIKeyACNVEXIGUNOEPS-UHFFFAOYSA-N
MW366.31 g/mol
LogP0.47
Rot. Bonds9

About N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 157072030) has the molecular formula C12H20F6N4O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID157072030
Molecular FormulaC12H20F6N4O2
Molecular Weight366.31 g/mol
Exact Mass366.15
IUPAC NameN-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESNCCCN(CCN(CCCN)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C12H20F6N4O2/c13-11(14,15)9(23)21(5-1-3-19)7-8-22(6-2-4-20)10(24)12(16,17)18/h1-8,19-20H2
InChIKeyACNVEXIGUNOEPS-UHFFFAOYSA-N
XLogP0.47
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 174845848
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
CID 146412399
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
N-(4-aminobutyl)-N-(4-amino-3-hydroxyphenyl)-2,2,2-trifluoroacetamide
CID 141427152
3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
CID 87715709
2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
CID 79796610
3-aminopropyl-[2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride
CID 66611801
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
8-amino-1,1,1-trifluorooctan-2-one
CID 87826249

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (CID 157072030) is N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is NCCCN(CCN(CCCN)C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ACNVEXIGUNOEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6N4O2/c13-11(14,15)9(23)21(5-1-3-19)7-8-22(6-2-4-20)10(24)12(16,17)18/h1-8,19-20H2.
What are the key properties of N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 366.31 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 157072030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).