3-butyl-2H-pyrrol-5-amine

C8H14N2 — CID 70140066

IUPAC3-butyl-2H-pyrrol-5-amine
SMILESCCCCC1=CC(N)=NC1
InChIInChI=1S/C8H14N2/c1-2-3-4-7-5-8(9)10-6-7/h5H,2-4,6H2,1H3,(H2,9,10)
InChIKeyBLWGHRCGLURYFI-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.47
Rot. Bonds3

About 3-butyl-2H-pyrrol-5-amine

3-butyl-2H-pyrrol-5-amine (PubChem CID 70140066) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-butyl-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-butyl-2H-pyrrol-5-amine
PubChem CID70140066
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-butyl-2H-pyrrol-5-amine
SMILESCCCCC1=CC(N)=NC1
InChIInChI=1S/C8H14N2/c1-2-3-4-7-5-8(9)10-6-7/h5H,2-4,6H2,1H3,(H2,9,10)
InChIKeyBLWGHRCGLURYFI-UHFFFAOYSA-N
XLogP1.47
TPSA38.38 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2H-pyrrol-5-amine?
The IUPAC name of 3-butyl-2H-pyrrol-5-amine (CID 70140066) is 3-butyl-2H-pyrrol-5-amine.
What is the SMILES notation for 3-butyl-2H-pyrrol-5-amine?
The canonical SMILES for 3-butyl-2H-pyrrol-5-amine is CCCCC1=CC(N)=NC1.
What is the InChIKey of 3-butyl-2H-pyrrol-5-amine?
The InChIKey is BLWGHRCGLURYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-7-5-8(9)10-6-7/h5H,2-4,6H2,1H3,(H2,9,10).
What are the key properties of 3-butyl-2H-pyrrol-5-amine?
3-butyl-2H-pyrrol-5-amine has a molecular weight of 138.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2H-pyrrol-5-amine is sourced from PubChem (CID 70140066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).