N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine

C15H27N3O — CID 79782675

IUPACN-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCN(CC)CC)cn1
InChIInChI=1S/C15H27N3O/c1-4-9-16-12-14-7-8-15(13-17-14)19-11-10-18(5-2)6-3/h7-8,13,16H,4-6,9-12H2,1-3H3
InChIKeyBSHQGFGVKLVCBE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds10

About N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79782675) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID79782675
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCN(CC)CC)cn1
InChIInChI=1S/C15H27N3O/c1-4-9-16-12-14-7-8-15(13-17-14)19-11-10-18(5-2)6-3/h7-8,13,16H,4-6,9-12H2,1-3H3
InChIKeyBSHQGFGVKLVCBE-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'}

Analyze N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 107006237
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine
CID 104638488
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
N-[[5-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781690

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine (CID 79782675) is N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCCN(CC)CC)cn1.
What is the InChIKey of N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is BSHQGFGVKLVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-16-12-14-7-8-15(13-17-14)19-11-10-18(5-2)6-3/h7-8,13,16H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[5-[2-(diethylamino)ethoxy]-2-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-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).