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

C10H19F3N2 — CID 103069501

IUPACN-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNCCC)CN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-4-5-14-6-9(2)7-15(3)8-10(11,12)13/h14H,2,4-8H2,1,3H3
InChIKeyQYNDGGLTKLUGFF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.04
Rot. Bonds7

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

N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103069501) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103069501
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNCCC)CN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-4-5-14-6-9(2)7-15(3)8-10(11,12)13/h14H,2,4-8H2,1,3H3
InChIKeyQYNDGGLTKLUGFF-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103069501) is N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNCCC)CN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is QYNDGGLTKLUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-4-5-14-6-9(2)7-15(3)8-10(11,12)13/h14H,2,4-8H2,1,3H3.
What are the key properties of N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103069501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).