N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2O — CID 55089574

IUPACN'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)CC1CCCCO1
InChIInChI=1S/C11H21F3N2O/c1-16(6-5-15-9-11(12,13)14)8-10-4-2-3-7-17-10/h10,15H,2-9H2,1H3
InChIKeySXXVOTZVDKZNEG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds6

About N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55089574) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55089574
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)CC1CCCCO1
InChIInChI=1S/C11H21F3N2O/c1-16(6-5-15-9-11(12,13)14)8-10-4-2-3-7-17-10/h10,15H,2-9H2,1H3
InChIKeySXXVOTZVDKZNEG-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
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'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55089574) is N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNCC(F)(F)F)CC1CCCCO1.
What is the InChIKey of N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is SXXVOTZVDKZNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16(6-5-15-9-11(12,13)14)8-10-4-2-3-7-17-10/h10,15H,2-9H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).