4-(3H-pyrrol-5-yl)butan-1-amine

C8H14N2 — CID 23562973

IUPAC4-(3H-pyrrol-5-yl)butan-1-amine
SMILESNCCCCC1=CCC=N1
InChIInChI=1S/C8H14N2/c9-6-2-1-4-8-5-3-7-10-8/h5,7H,1-4,6,9H2
InChIKeyBBOZTYZFAWPCCD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.47
Rot. Bonds4

About 4-(3H-pyrrol-5-yl)butan-1-amine

4-(3H-pyrrol-5-yl)butan-1-amine (PubChem CID 23562973) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-(3H-pyrrol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3H-pyrrol-5-yl)butan-1-amine
PubChem CID23562973
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-(3H-pyrrol-5-yl)butan-1-amine
SMILESNCCCCC1=CCC=N1
InChIInChI=1S/C8H14N2/c9-6-2-1-4-8-5-3-7-10-8/h5,7H,1-4,6,9H2
InChIKeyBBOZTYZFAWPCCD-UHFFFAOYSA-N
XLogP1.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-pyrrol-5-yl)butan-1-amine?
The IUPAC name of 4-(3H-pyrrol-5-yl)butan-1-amine (CID 23562973) is 4-(3H-pyrrol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(3H-pyrrol-5-yl)butan-1-amine?
The canonical SMILES for 4-(3H-pyrrol-5-yl)butan-1-amine is NCCCCC1=CCC=N1.
What is the InChIKey of 4-(3H-pyrrol-5-yl)butan-1-amine?
The InChIKey is BBOZTYZFAWPCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-6-2-1-4-8-5-3-7-10-8/h5,7H,1-4,6,9H2.
What are the key properties of 4-(3H-pyrrol-5-yl)butan-1-amine?
4-(3H-pyrrol-5-yl)butan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-pyrrol-5-yl)butan-1-amine is sourced from PubChem (CID 23562973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).