N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine

C11H18F3N3 — CID 143795995

IUPACN,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C(/N=C\C(=C)C(F)(F)F)N(C)CCN(C)C
InChIInChI=1S/C11H18F3N3/c1-9(11(12,13)14)8-15-10(2)17(5)7-6-16(3)4/h8H,1-2,6-7H2,3-5H3/b15-8-
InChIKeyWVFXQUVOSSXLNM-NVNXTCNLSA-N
MW249.28 g/mol
LogP2.14
Rot. Bonds6

About N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine (PubChem CID 143795995) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
PubChem CID143795995
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC NameN,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C(/N=C\C(=C)C(F)(F)F)N(C)CCN(C)C
InChIInChI=1S/C11H18F3N3/c1-9(11(12,13)14)8-15-10(2)17(5)7-6-16(3)4/h8H,1-2,6-7H2,3-5H3/b15-8-
InChIKeyWVFXQUVOSSXLNM-NVNXTCNLSA-N
XLogP2.14
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
CID 172631824
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958190
N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]-N-propan-2-ylethane-1,2-diamine
CID 144309799
ethane;N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461266
ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
CID 145378916
N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
CID 145378917
N,N,N'-trimethyl-N'-[1-[(Z)-2-methylidenepent-3-ynylideneamino]ethenyl]ethane-1,2-diamine
CID 153633312
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride;ethane
CID 172631823
N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461267

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine (CID 143795995) is N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine is C=C(/N=C\C(=C)C(F)(F)F)N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The InChIKey is WVFXQUVOSSXLNM-NVNXTCNLSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-9(11(12,13)14)8-15-10(2)17(5)7-6-16(3)4/h8H,1-2,6-7H2,3-5H3/b15-8-.
What are the key properties of N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine has a molecular weight of 249.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 143795995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).