N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine

C12H25F3N2O — CID 176601052

IUPACN-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)CNCCN(CCOC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2O/c1-10(2)9-16-5-6-17(11(3)4)7-8-18-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyTZBUJRHDUUVMEM-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds9

About N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine

N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine (PubChem CID 176601052) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
PubChem CID176601052
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC NameN-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)CNCCN(CCOC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2O/c1-10(2)9-16-5-6-17(11(3)4)7-8-18-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyTZBUJRHDUUVMEM-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine (CID 176601052) is N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine is CC(C)CNCCN(CCOC(F)(F)F)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is TZBUJRHDUUVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-10(2)9-16-5-6-17(11(3)4)7-8-18-12(13,14)15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine?
N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 176601052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).