N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C9H17F3N2 — CID 103070113

IUPACN-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(CC)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-4-14(7-9(10,11)12)6-8(2)5-13-3/h13H,2,4-7H2,1,3H3
InChIKeyPTSHXONEGIVGKT-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.65
Rot. Bonds6

About N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103070113) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103070113
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(CC)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-4-14(7-9(10,11)12)6-8(2)5-13-3/h13H,2,4-7H2,1,3H3
InChIKeyPTSHXONEGIVGKT-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103070113) is N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNC)CN(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is PTSHXONEGIVGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-4-14(7-9(10,11)12)6-8(2)5-13-3/h13H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103070113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).