N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C15H27F3N2O — CID 62426468

IUPACN-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)(C)NCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C15H27F3N2O/c1-14(2,3)19-8-12-6-7-13(21-12)9-20(11-4-5-11)10-15(16,17)18/h11-13,19H,4-10H2,1-3H3
InChIKeyZRAVKAWKKGOZAX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.95
Rot. Bonds6

About N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62426468) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62426468
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)(C)NCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C15H27F3N2O/c1-14(2,3)19-8-12-6-7-13(21-12)9-20(11-4-5-11)10-15(16,17)18/h11-13,19H,4-10H2,1-3H3
InChIKeyZRAVKAWKKGOZAX-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62426468) is N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC(C)(C)NCC1CCC(CN(CC(F)(F)F)C2CC2)O1.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is ZRAVKAWKKGOZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-14(2,3)19-8-12-6-7-13(21-12)9-20(11-4-5-11)10-15(16,17)18/h11-13,19H,4-10H2,1-3H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 308.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62426468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).