N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C11H21F3N2O — CID 55056514

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(CN)CCOC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)16(7-11(12,13)14)6-10(5-15)3-4-17-8-10/h9H,3-8,15H2,1-2H3
InChIKeyWJRQLSOGPPRTAN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 55056514) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID55056514
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC(F)(F)F)CC1(CN)CCOC1
InChIInChI=1S/C11H21F3N2O/c1-9(2)16(7-11(12,13)14)6-10(5-15)3-4-17-8-10/h9H,3-8,15H2,1-2H3
InChIKeyWJRQLSOGPPRTAN-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 55056514) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CC(F)(F)F)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is WJRQLSOGPPRTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)16(7-11(12,13)14)6-10(5-15)3-4-17-8-10/h9H,3-8,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 55056514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).