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

C10H19F3N2O — CID 115688856

IUPACN'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CCCNC1CCOC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(8-10(11,12)13)5-2-4-14-9-3-6-16-7-9/h9,14H,2-8H2,1H3
InChIKeyHMPODXULRMSQGY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds6

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

N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 115688856) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID115688856
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CCCNC1CCOC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15(8-10(11,12)13)5-2-4-14-9-3-6-16-7-9/h9,14H,2-8H2,1H3
InChIKeyHMPODXULRMSQGY-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
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-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 115688856) is N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CN(CCCNC1CCOC1)CC(F)(F)F.
What is the InChIKey of N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is HMPODXULRMSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(8-10(11,12)13)5-2-4-14-9-3-6-16-7-9/h9,14H,2-8H2,1H3.
What are the key properties of N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 115688856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).