N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine

C14H22N2O2 — CID 55058917

IUPACN-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CCCO2)nc1
InChIInChI=1S/C14H22N2O2/c1-2-7-15-9-12-5-6-14(16-10-12)18-11-13-4-3-8-17-13/h5-6,10,13,15H,2-4,7-9,11H2,1H3
InChIKeyWNIVRIHHDALPFR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds7

About N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 55058917) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID55058917
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CCCO2)nc1
InChIInChI=1S/C14H22N2O2/c1-2-7-15-9-12-5-6-14(16-10-12)18-11-13-4-3-8-17-13/h5-6,10,13,15H,2-4,7-9,11H2,1H3
InChIKeyWNIVRIHHDALPFR-UHFFFAOYSA-N
XLogP2.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
2-methyl-N-[[6-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291212
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methanol
CID 61255283
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
5-(oxolan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62194442
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 62323923
2-methyl-1-(oxolan-2-ylmethyl)-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111834955
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286

Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 55058917) is N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCC2CCCO2)nc1.
What is the InChIKey of N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is WNIVRIHHDALPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-7-15-9-12-5-6-14(16-10-12)18-11-13-4-3-8-17-13/h5-6,10,13,15H,2-4,7-9,11H2,1H3.
What are the key properties of N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 55058917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).