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

C14H25F3N2O — CID 62426283

IUPACN-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCNCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C14H25F3N2O/c1-2-7-18-8-12-5-6-13(20-12)9-19(11-3-4-11)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyIMLFQZAPRVXETP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds8

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

N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62426283) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62426283
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCNCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C14H25F3N2O/c1-2-7-18-8-12-5-6-13(20-12)9-19(11-3-4-11)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyIMLFQZAPRVXETP-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
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-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62426283) is N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCCNCC1CCC(CN(CC(F)(F)F)C2CC2)O1.
What is the InChIKey of N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is IMLFQZAPRVXETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-7-18-8-12-5-6-13(20-12)9-19(11-3-4-11)10-14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 294.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62426283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).