N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine

C14H24N2O2 — CID 55231672

IUPACN-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCOCCC)c1
InChIInChI=1S/C14H24N2O2/c1-3-6-15-12-13-5-7-16-14(11-13)18-10-9-17-8-4-2/h5,7,11,15H,3-4,6,8-10,12H2,1-2H3
InChIKeyQRSGZUFAINXILS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds10

About N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 55231672) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID55231672
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCOCCC)c1
InChIInChI=1S/C14H24N2O2/c1-3-6-15-12-13-5-7-16-14(11-13)18-10-9-17-8-4-2/h5,7,11,15H,3-4,6,8-10,12H2,1-2H3
InChIKeyQRSGZUFAINXILS-UHFFFAOYSA-N
XLogP2.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
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-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62296826
N-[[6-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55232067
N-[[2-[(4-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 82831459
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62292173
N-[[3-bromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450099
N-[[2-(4,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 114342312
N-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
N-[[3,5-dibromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 107742570
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (CID 55231672) is N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OCCOCCC)c1.
What is the InChIKey of N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is QRSGZUFAINXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-15-12-13-5-7-16-14(11-13)18-10-9-17-8-4-2/h5,7,11,15H,3-4,6,8-10,12H2,1-2H3.
What are the key properties of N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 55231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).