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

C15H27F3N2O — CID 62426645

IUPACN-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)CNCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C15H27F3N2O/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12-3-4-12)10-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyPTGWZEDHPXCUJZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds8

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

N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62426645) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62426645
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)CNCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C15H27F3N2O/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12-3-4-12)10-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyPTGWZEDHPXCUJZ-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62426645) is N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC(C)CNCC1CCC(CN(CC(F)(F)F)C2CC2)O1.
What is the InChIKey of N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is PTGWZEDHPXCUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12-3-4-12)10-15(16,17)18/h11-14,19H,3-10H2,1-2H3.
What are the key properties of N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62426645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).