N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine

C15H19N3O — CID 79781849

IUPACN-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C15H19N3O/c1-2-8-16-10-13-6-7-15(11-18-13)19-12-14-5-3-4-9-17-14/h3-7,9,11,16H,2,8,10,12H2,1H3
InChIKeyUFEFCPPHJSSWAG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds7

About N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79781849) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID79781849
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C15H19N3O/c1-2-8-16-10-13-6-7-15(11-18-13)19-12-14-5-3-4-9-17-14/h3-7,9,11,16H,2,8,10,12H2,1H3
InChIKeyUFEFCPPHJSSWAG-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.56
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-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N-[[5-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781688
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 107006237
N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114345815
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226

Frequently Asked Questions

What is the IUPAC name of N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine (CID 79781849) is N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2ccccn2)cn1.
What is the InChIKey of N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is UFEFCPPHJSSWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-8-16-10-13-6-7-15(11-18-13)19-12-14-5-3-4-9-17-14/h3-7,9,11,16H,2,8,10,12H2,1H3.
What are the key properties of N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79781849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).