N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine

C13H15F3N2 — CID 166672076

IUPACN-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
SMILESC=CN(Cc1ccc(C(F)(F)F)cc1)/N=C\CC
InChIInChI=1S/C13H15F3N2/c1-3-9-17-18(4-2)10-11-5-7-12(8-6-11)13(14,15)16/h4-9H,2-3,10H2,1H3/b17-9-
InChIKeyLYJVAKZFGBQTIW-MFOYZWKCSA-N
MW256.27 g/mol
LogP4.05
Rot. Bonds5

About N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine

N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine (PubChem CID 166672076) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine.

Molecular Properties

Compound NameN-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
PubChem CID166672076
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
SMILESC=CN(Cc1ccc(C(F)(F)F)cc1)/N=C\CC
InChIInChI=1S/C13H15F3N2/c1-3-9-17-18(4-2)10-11-5-7-12(8-6-11)13(14,15)16/h4-9H,2-3,10H2,1H3/b17-9-
InChIKeyLYJVAKZFGBQTIW-MFOYZWKCSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 154621355
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
2-bromo-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80679836
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
CID 47020410

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
The IUPAC name of N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine (CID 166672076) is N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine.
What is the SMILES notation for N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
The canonical SMILES for N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine is C=CN(Cc1ccc(C(F)(F)F)cc1)/N=C\CC.
What is the InChIKey of N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
The InChIKey is LYJVAKZFGBQTIW-MFOYZWKCSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-3-9-17-18(4-2)10-11-5-7-12(8-6-11)13(14,15)16/h4-9H,2-3,10H2,1H3/b17-9-.
What are the key properties of N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine has a molecular weight of 256.27 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-propylideneamino]-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine is sourced from PubChem (CID 166672076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).