N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine

C13H22N2O2 — CID 62288945

IUPACN-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCCCOC)ccn1
InChIInChI=1S/C13H22N2O2/c1-3-6-14-11-12-10-13(5-7-15-12)17-9-4-8-16-2/h5,7,10,14H,3-4,6,8-9,11H2,1-2H3
InChIKeyDBSITTXRPLHWQZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds9

About N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62288945) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62288945
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCCCOC)ccn1
InChIInChI=1S/C13H22N2O2/c1-3-6-14-11-12-10-13(5-7-15-12)17-9-4-8-16-2/h5,7,10,14H,3-4,6,8-9,11H2,1-2H3
InChIKeyDBSITTXRPLHWQZ-UHFFFAOYSA-N
XLogP2.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
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-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 103180865
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
N-methyl-N-[2-[[2-(propylaminomethyl)-4-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740576
1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 103180750
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
CID 63984828
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 62288617
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
N-[[4-(3-phenylprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 76938521

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62288945) is N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(OCCCOC)ccn1.
What is the InChIKey of N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is DBSITTXRPLHWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-14-11-12-10-13(5-7-15-12)17-9-4-8-16-2/h5,7,10,14H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62288945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).