2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine

C8H14N2 — CID 70311850

IUPAC2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine
SMILESCC1=NC(C)C(CCN)=C1
InChIInChI=1S/C8H14N2/c1-6-5-8(3-4-9)7(2)10-6/h5,7H,3-4,9H2,1-2H3
InChIKeyCKZZOUAUIMUDRE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.12
Rot. Bonds2

About 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine

2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine (PubChem CID 70311850) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine
PubChem CID70311850
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine
SMILESCC1=NC(C)C(CCN)=C1
InChIInChI=1S/C8H14N2/c1-6-5-8(3-4-9)7(2)10-6/h5,7H,3-4,9H2,1-2H3
InChIKeyCKZZOUAUIMUDRE-UHFFFAOYSA-N
XLogP1.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine (CID 70311850) is 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine is CC1=NC(C)C(CCN)=C1.
What is the InChIKey of 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine?
The InChIKey is CKZZOUAUIMUDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-5-8(3-4-9)7(2)10-6/h5,7H,3-4,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine?
2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 70311850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).