N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

C11H20N2O2 — CID 82711962

IUPACN-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCOCCONCc1cc(C)n(C)c1C
InChIInChI=1S/C11H20N2O2/c1-9-7-11(10(2)13(9)3)8-12-15-6-5-14-4/h7,12H,5-6,8H2,1-4H3
InChIKeyOBDFQQUCVJCIAJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.31
Rot. Bonds6

About N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (PubChem CID 82711962) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
PubChem CID82711962
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCOCCONCc1cc(C)n(C)c1C
InChIInChI=1S/C11H20N2O2/c1-9-7-11(10(2)13(9)3)8-12-15-6-5-14-4/h7,12H,5-6,8H2,1-4H3
InChIKeyOBDFQQUCVJCIAJ-UHFFFAOYSA-N
XLogP1.31
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (CID 82711962) is N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is COCCONCc1cc(C)n(C)c1C.
What is the InChIKey of N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The InChIKey is OBDFQQUCVJCIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-7-11(10(2)13(9)3)8-12-15-6-5-14-4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine has a molecular weight of 212.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82711962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).