N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine

C15H26N2O3 — CID 104566255

IUPACN-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCOc1ccnc(CNCC(C)C)c1
InChIInChI=1S/C15H26N2O3/c1-13(2)11-16-12-14-10-15(4-5-17-14)20-9-8-19-7-6-18-3/h4-5,10,13,16H,6-9,11-12H2,1-3H3
InChIKeyKGYJBXPQQZUHHR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.87
Rot. Bonds11

About N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 104566255) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID104566255
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCOc1ccnc(CNCC(C)C)c1
InChIInChI=1S/C15H26N2O3/c1-13(2)11-16-12-14-10-15(4-5-17-14)20-9-8-19-7-6-18-3/h4-5,10,13,16H,6-9,11-12H2,1-3H3
InChIKeyKGYJBXPQQZUHHR-UHFFFAOYSA-N
XLogP1.87
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 104566339
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 103180865
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
2-(chloromethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine
CID 113427169
1-[4-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 103180750
N-[[6-[2-(2-methoxyethoxy)ethoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 104566336
2-methyl-N-[[4-(1-phenylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62290876
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82718553

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 104566255) is N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine is COCCOCCOc1ccnc(CNCC(C)C)c1.
What is the InChIKey of N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KGYJBXPQQZUHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(2)11-16-12-14-10-15(4-5-17-14)20-9-8-19-7-6-18-3/h4-5,10,13,16H,6-9,11-12H2,1-3H3.
What are the key properties of N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.38 g/mol, XLogP of 1.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104566255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).