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

C11H21F3N2 — CID 103070117

IUPACN-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNCCC)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-4-6-15-7-10(3)8-16(5-2)9-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyGBJPCYPLYIQPDP-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.43
Rot. Bonds8

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

N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103070117) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103070117
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNCCC)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-4-6-15-7-10(3)8-16(5-2)9-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyGBJPCYPLYIQPDP-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.43
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-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103070117) is N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNCCC)CN(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is GBJPCYPLYIQPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-6-15-7-10(3)8-16(5-2)9-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103070117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).