N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C12H25F3N2O — CID 55091091

IUPACN'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCCOCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-11(2)9-16-5-7-17(3)6-4-8-18-10-12(13,14)15/h11,16H,4-10H2,1-3H3
InChIKeyCWAUUKLGNRNEJI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.13
Rot. Bonds10

About N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 55091091) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID55091091
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCCOCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-11(2)9-16-5-7-17(3)6-4-8-18-10-12(13,14)15/h11,16H,4-10H2,1-3H3
InChIKeyCWAUUKLGNRNEJI-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.13
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'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 55091091) is N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CC(C)CNCCN(C)CCCOCC(F)(F)F.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is CWAUUKLGNRNEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-11(2)9-16-5-7-17(3)6-4-8-18-10-12(13,14)15/h11,16H,4-10H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 55091091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).