N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine

C8H14N2O — CID 115258865

IUPACN-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCOCNCCc1cc[nH]c1
InChIInChI=1S/C8H14N2O/c1-11-7-10-5-3-8-2-4-9-6-8/h2,4,6,9-10H,3,5,7H2,1H3
InChIKeyAGKRKFDIZUFHOG-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.75
Rot. Bonds5

About N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine

N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 115258865) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID115258865
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCOCNCCc1cc[nH]c1
InChIInChI=1S/C8H14N2O/c1-11-7-10-5-3-8-2-4-9-6-8/h2,4,6,9-10H,3,5,7H2,1H3
InChIKeyAGKRKFDIZUFHOG-UHFFFAOYSA-N
XLogP0.75
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine (CID 115258865) is N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine is COCNCCc1cc[nH]c1.
What is the InChIKey of N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is AGKRKFDIZUFHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-11-7-10-5-3-8-2-4-9-6-8/h2,4,6,9-10H,3,5,7H2,1H3.
What are the key properties of N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine?
N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 154.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 115258865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).