N-methyl-2-(3H-pyrrol-5-yl)ethanamine

C7H12N2 — CID 58164545

IUPACN-methyl-2-(3H-pyrrol-5-yl)ethanamine
SMILESCNCCC1=CCC=N1
InChIInChI=1S/C7H12N2/c1-8-6-4-7-3-2-5-9-7/h3,5,8H,2,4,6H2,1H3
InChIKeyJMYYABPYEDIDHG-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-2-(3H-pyrrol-5-yl)ethanamine

N-methyl-2-(3H-pyrrol-5-yl)ethanamine (PubChem CID 58164545) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-2-(3H-pyrrol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3H-pyrrol-5-yl)ethanamine
PubChem CID58164545
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-2-(3H-pyrrol-5-yl)ethanamine
SMILESCNCCC1=CCC=N1
InChIInChI=1S/C7H12N2/c1-8-6-4-7-3-2-5-9-7/h3,5,8H,2,4,6H2,1H3
InChIKeyJMYYABPYEDIDHG-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3H-pyrrol-5-yl)ethanamine?
The IUPAC name of N-methyl-2-(3H-pyrrol-5-yl)ethanamine (CID 58164545) is N-methyl-2-(3H-pyrrol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3H-pyrrol-5-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3H-pyrrol-5-yl)ethanamine is CNCCC1=CCC=N1.
What is the InChIKey of N-methyl-2-(3H-pyrrol-5-yl)ethanamine?
The InChIKey is JMYYABPYEDIDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-6-4-7-3-2-5-9-7/h3,5,8H,2,4,6H2,1H3.
What are the key properties of N-methyl-2-(3H-pyrrol-5-yl)ethanamine?
N-methyl-2-(3H-pyrrol-5-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3H-pyrrol-5-yl)ethanamine is sourced from PubChem (CID 58164545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).