N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine

C14H24N2O2 — CID 63685132

IUPACN-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OCCOCCC
InChIInChI=1S/C14H24N2O2/c1-3-7-15-12-13-6-5-8-16-14(13)18-11-10-17-9-4-2/h5-6,8,15H,3-4,7,9-12H2,1-2H3
InChIKeyYLLZAACMNKDJBP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds10

About N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 63685132) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID63685132
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1OCCOCCC
InChIInChI=1S/C14H24N2O2/c1-3-7-15-12-13-6-5-8-16-14(13)18-11-10-17-9-4-2/h5-6,8,15H,3-4,7,9-12H2,1-2H3
InChIKeyYLLZAACMNKDJBP-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-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
N-[[2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 106205338
[2-(2-propoxyethoxy)-3-pyridinyl]methanol
CID 63684391
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450010
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
N-[[2-(2-ethoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291566

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 63685132) is N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1OCCOCCC.
What is the InChIKey of N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is YLLZAACMNKDJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-15-12-13-6-5-8-16-14(13)18-11-10-17-9-4-2/h5-6,8,15H,3-4,7,9-12H2,1-2H3.
What are the key properties of N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-propoxyethoxy)-3-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)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63685132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).