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

C8H15F3N2 — CID 103069496

IUPACN,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(4-12-2)5-13(3)6-8(9,10)11/h12H,1,4-6H2,2-3H3
InChIKeyDWRXJLWHUIVYKE-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.26
Rot. Bonds5

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

N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103069496) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103069496
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(4-12-2)5-13(3)6-8(9,10)11/h12H,1,4-6H2,2-3H3
InChIKeyDWRXJLWHUIVYKE-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.26
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,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103069496) is N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNC)CN(C)CC(F)(F)F.
What is the InChIKey of N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is DWRXJLWHUIVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(4-12-2)5-13(3)6-8(9,10)11/h12H,1,4-6H2,2-3H3.
What are the key properties of N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103069496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).