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

C11H21F3N2 — CID 103069500

IUPACN-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-9(6-15-10(2,3)4)7-16(5)8-11(12,13)14/h15H,1,6-8H2,2-5H3
InChIKeyNGHNWZHQGVIUKG-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.42
Rot. Bonds5

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

N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103069500) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103069500
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-9(6-15-10(2,3)4)7-16(5)8-11(12,13)14/h15H,1,6-8H2,2-5H3
InChIKeyNGHNWZHQGVIUKG-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.42
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-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103069500) is N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)CC(F)(F)F.
What is the InChIKey of N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is NGHNWZHQGVIUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(6-15-10(2,3)4)7-16(5)8-11(12,13)14/h15H,1,6-8H2,2-5H3.
What are the key properties of N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103069500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).