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

C15H27N3O — CID 62296826

IUPACN-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCN(CC)CC)c1
InChIInChI=1S/C15H27N3O/c1-4-8-16-13-14-7-9-17-15(12-14)19-11-10-18(5-2)6-3/h7,9,12,16H,4-6,8,10-11,13H2,1-3H3
InChIKeyOQYCBZIOCZXEPY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds10

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

N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine (PubChem CID 62296826) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
PubChem CID62296826
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCCN(CC)CC)c1
InChIInChI=1S/C15H27N3O/c1-4-8-16-13-14-7-9-17-15(12-14)19-11-10-18(5-2)6-3/h7,9,12,16H,4-6,8,10-11,13H2,1-3H3
InChIKeyOQYCBZIOCZXEPY-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.30
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-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 55231672
2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268983
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
N-[[2-[(4-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 82831459
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-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 62284795
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[[2-(1,3-benzodioxol-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 62295833
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[[2-(4,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 114342312

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine (CID 62296826) is N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OCCN(CC)CC)c1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is OQYCBZIOCZXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-16-13-14-7-9-17-15(12-14)19-11-10-18(5-2)6-3/h7,9,12,16H,4-6,8,10-11,13H2,1-3H3.
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine?
N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62296826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).