2-(1-ethylpyrrol-2-yl)ethanamine

C8H14N2 — CID 66404226

IUPAC2-(1-ethylpyrrol-2-yl)ethanamine
SMILESCCn1cccc1CCN
InChIInChI=1S/C8H14N2/c1-2-10-7-3-4-8(10)5-6-9/h3-4,7H,2,5-6,9H2,1H3
InChIKeyUZHJWWNKUFBJHO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.01
Rot. Bonds3

About 2-(1-ethylpyrrol-2-yl)ethanamine

2-(1-ethylpyrrol-2-yl)ethanamine (PubChem CID 66404226) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(1-ethylpyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrrol-2-yl)ethanamine
PubChem CID66404226
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(1-ethylpyrrol-2-yl)ethanamine
SMILESCCn1cccc1CCN
InChIInChI=1S/C8H14N2/c1-2-10-7-3-4-8(10)5-6-9/h3-4,7H,2,5-6,9H2,1H3
InChIKeyUZHJWWNKUFBJHO-UHFFFAOYSA-N
XLogP1.01
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrol-2-yl)ethanamine?
The IUPAC name of 2-(1-ethylpyrrol-2-yl)ethanamine (CID 66404226) is 2-(1-ethylpyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylpyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(1-ethylpyrrol-2-yl)ethanamine is CCn1cccc1CCN.
What is the InChIKey of 2-(1-ethylpyrrol-2-yl)ethanamine?
The InChIKey is UZHJWWNKUFBJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-10-7-3-4-8(10)5-6-9/h3-4,7H,2,5-6,9H2,1H3.
What are the key properties of 2-(1-ethylpyrrol-2-yl)ethanamine?
2-(1-ethylpyrrol-2-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrol-2-yl)ethanamine is sourced from PubChem (CID 66404226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).