4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine

C13H23F3N2O — CID 66256582

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-2-5-17-12-8-19-7-10(12)6-18(11-3-4-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeySVJRWAVBXGYITQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds7

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 66256582) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID66256582
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-2-5-17-12-8-19-7-10(12)6-18(11-3-4-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeySVJRWAVBXGYITQ-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine (CID 66256582) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is SVJRWAVBXGYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-5-17-12-8-19-7-10(12)6-18(11-3-4-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66256582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).