N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide

C11H20F6N6O2 — CID 54392780

IUPACN-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide
SMILESNCCNCCN(CCN)C(NC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C11H20F6N6O2/c12-10(13,14)7(24)21-9(22-8(25)11(15,16)17)23(5-2-19)6-4-20-3-1-18/h9,20H,1-6,18-19H2,(H,21,24)(H,22,25)
InChIKeyVHVMKNNEBRNBGW-UHFFFAOYSA-N
MW382.31 g/mol
LogP-1.56
Rot. Bonds10

About N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide

N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide (PubChem CID 54392780) has the molecular formula C11H20F6N6O2 and a molecular weight of 382.31 g/mol. Its IUPAC name is N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide
PubChem CID54392780
Molecular FormulaC11H20F6N6O2
Molecular Weight382.31 g/mol
Exact Mass382.16
IUPAC NameN-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide
SMILESNCCNCCN(CCN)C(NC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C11H20F6N6O2/c12-10(13,14)7(24)21-9(22-8(25)11(15,16)17)23(5-2-19)6-4-20-3-1-18/h9,20H,1-6,18-19H2,(H,21,24)(H,22,25)
InChIKeyVHVMKNNEBRNBGW-UHFFFAOYSA-N
XLogP-1.56
TPSA125.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N1,N2-(2-(2,2,2-Trifluoroacetamido)ethyl)ethane-1,2-diaminium Trifluoroacetate
CID 15938557
N,N',N''-(2,2',2''-Nitrilotriethyl)tris(2,2,2-trifluoroacetamide)
CID 3640837
2,2,2-trifluoro-N-[2-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 16114682
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
1,4,7-Tris(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane
CID 12084312
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 21223133
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
N-[2-[2-(2-aminoethylamino)ethyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 54080584
N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]carbamoyl fluoride
CID 58883041
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577
N-[2-(ethylamino)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 88282397

Frequently Asked Questions

What is the IUPAC name of N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide (CID 54392780) is N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide is NCCNCCN(CCN)C(NC(=O)C(F)(F)F)NC(=O)C(F)(F)F.
What is the InChIKey of N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is VHVMKNNEBRNBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F6N6O2/c12-10(13,14)7(24)21-9(22-8(25)11(15,16)17)23(5-2-19)6-4-20-3-1-18/h9,20H,1-6,18-19H2,(H,21,24)(H,22,25).
What are the key properties of N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide?
N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 382.31 g/mol, XLogP of -1.56, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54392780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).