N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C15H27F9N4 — CID 140748013

IUPACN-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCN(CCN(C)CC(F)(F)F)CCN(C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C15H27F9N4/c1-25(10-13(16,17)18)4-7-28(8-5-26(2)11-14(19,20)21)9-6-27(3)12-15(22,23)24/h4-12H2,1-3H3
InChIKeyQENCXBKBSSSLBC-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.77
Rot. Bonds12

About N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 140748013) has the molecular formula C15H27F9N4 and a molecular weight of 434.39 g/mol. Its IUPAC name is N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID140748013
Molecular FormulaC15H27F9N4
Molecular Weight434.39 g/mol
Exact Mass434.21
IUPAC NameN-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCN(CCN(C)CC(F)(F)F)CCN(C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C15H27F9N4/c1-25(10-13(16,17)18)4-7-28(8-5-26(2)11-14(19,20)21)9-6-27(3)12-15(22,23)24/h4-12H2,1-3H3
InChIKeyQENCXBKBSSSLBC-UHFFFAOYSA-N
XLogP2.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107488476
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427958
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 163585742
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 106709854
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
CID 115607183
N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892732
2,2,2-trifluoro-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
CID 163485226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 140748013) is N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCN(CCN(C)CC(F)(F)F)CCN(C)CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QENCXBKBSSSLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F9N4/c1-25(10-13(16,17)18)4-7-28(8-5-26(2)11-14(19,20)21)9-6-27(3)12-15(22,23)24/h4-12H2,1-3H3.
What are the key properties of N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 434.39 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 140748013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).