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

C15H25F3N2O — CID 114490695

IUPACN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CC=C(C(F)(F)F)CC2)O1
InChIInChI=1S/C15H25F3N2O/c1-2-7-19-10-13-3-4-14(21-13)11-20-8-5-12(6-9-20)15(16,17)18/h5,13-14,19H,2-4,6-11H2,1H3
InChIKeyUGGRAMOBPONBBJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.73
Rot. Bonds6

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

N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 114490695) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID114490695
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CC=C(C(F)(F)F)CC2)O1
InChIInChI=1S/C15H25F3N2O/c1-2-7-19-10-13-3-4-14(21-13)11-20-8-5-12(6-9-20)15(16,17)18/h5,13-14,19H,2-4,6-11H2,1H3
InChIKeyUGGRAMOBPONBBJ-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]propan-1-amine?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 114490695) is N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2CC=C(C(F)(F)F)CC2)O1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is UGGRAMOBPONBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-2-7-19-10-13-3-4-14(21-13)11-20-8-5-12(6-9-20)15(16,17)18/h5,13-14,19H,2-4,6-11H2,1H3.
What are the key properties of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 306.37 g/mol, XLogP of 2.73, 6 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]propan-1-amine is sourced from PubChem (CID 114490695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).