N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine

C15H23F3N2O — CID 114490620

IUPACN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CCN(CC2CCC(CNC3CC3)O2)CC1
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)11-5-7-20(8-6-11)10-14-4-3-13(21-14)9-19-12-1-2-12/h5,12-14,19H,1-4,6-10H2
InChIKeyRXKCVFBXUJPJNB-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.48
Rot. Bonds5

About N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 114490620) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID114490620
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CCN(CC2CCC(CNC3CC3)O2)CC1
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)11-5-7-20(8-6-11)10-14-4-3-13(21-14)9-19-12-1-2-12/h5,12-14,19H,1-4,6-10H2
InChIKeyRXKCVFBXUJPJNB-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 114490620) is N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine is FC(F)(F)C1=CCN(CC2CCC(CNC3CC3)O2)CC1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is RXKCVFBXUJPJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c16-15(17,18)11-5-7-20(8-6-11)10-14-4-3-13(21-14)9-19-12-1-2-12/h5,12-14,19H,1-4,6-10H2.
What are the key properties of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 304.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114490620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).