N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine

C13H22N2O — CID 143966477

IUPACN-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(COCC)cn1
InChIInChI=1S/C13H22N2O/c1-3-5-8-14-10-13-7-6-12(9-15-13)11-16-4-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyLLADXTNYDKARQH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.51
Rot. Bonds8

About N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine

N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine (PubChem CID 143966477) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine
PubChem CID143966477
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(COCC)cn1
InChIInChI=1S/C13H22N2O/c1-3-5-8-14-10-13-7-6-12(9-15-13)11-16-4-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyLLADXTNYDKARQH-UHFFFAOYSA-N
XLogP2.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
3,6-bis[4-[(5-butyl-2-pyridinyl)methylamino]butyl]piperazine-2,5-dione
CID 66669060
5-(ethoxymethyl)pyridine-2-carbaldehyde
CID 88594299
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 81342161
N-[[9-(butylaminomethyl)-1,10-phenanthrolin-2-yl]methyl]butan-1-amine
CID 15510833
N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 106450090
5-(butoxymethyl)pyridin-2-amine
CID 62195711
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine?
The IUPAC name of N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine (CID 143966477) is N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine is CCCCNCc1ccc(COCC)cn1.
What is the InChIKey of N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine?
The InChIKey is LLADXTNYDKARQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-8-14-10-13-7-6-12(9-15-13)11-16-4-2/h6-7,9,14H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine?
N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine is sourced from PubChem (CID 143966477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).