1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine

C8H14N2O — CID 130835408

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
SMILESCONCc1cc(C)[nH]c1C
InChIInChI=1S/C8H14N2O/c1-6-4-8(5-9-11-3)7(2)10-6/h4,9-10H,5H2,1-3H3
InChIKeyBRYFMVKAHBYUOF-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.28
Rot. Bonds3

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine

1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine (PubChem CID 130835408) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
PubChem CID130835408
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
SMILESCONCc1cc(C)[nH]c1C
InChIInChI=1S/C8H14N2O/c1-6-4-8(5-9-11-3)7(2)10-6/h4,9-10H,5H2,1-3H3
InChIKeyBRYFMVKAHBYUOF-UHFFFAOYSA-N
XLogP1.28
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine (CID 130835408) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine is CONCc1cc(C)[nH]c1C.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine?
The InChIKey is BRYFMVKAHBYUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-8(5-9-11-3)7(2)10-6/h4,9-10H,5H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine has a molecular weight of 154.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine is sourced from PubChem (CID 130835408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).