N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H23F3N2O — CID 104744982

IUPACN'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCNC(CN(C)CC(F)(F)F)C1CCOC1
InChIInChI=1S/C12H23F3N2O/c1-3-5-16-11(10-4-6-18-8-10)7-17(2)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKDWGQEKKHFPDLI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds7

About N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104744982) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104744982
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCNC(CN(C)CC(F)(F)F)C1CCOC1
InChIInChI=1S/C12H23F3N2O/c1-3-5-16-11(10-4-6-18-8-10)7-17(2)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKDWGQEKKHFPDLI-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104744982) is N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCNC(CN(C)CC(F)(F)F)C1CCOC1.
What is the InChIKey of N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KDWGQEKKHFPDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-5-16-11(10-4-6-18-8-10)7-17(2)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(oxolan-3-yl)-N-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104744982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).