4-pyrrolidin-1-ylbutan-1-amine

C8H18N2 — CID 2762762

IUPAC4-pyrrolidin-1-ylbutan-1-amine
SMILESNCCCCN1CCCC1
InChIInChI=1S/C8H18N2/c9-5-1-2-6-10-7-3-4-8-10/h1-9H2
InChIKeyLSDYCEIPEBJKPT-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds4

About 4-pyrrolidin-1-ylbutan-1-amine

4-pyrrolidin-1-ylbutan-1-amine (PubChem CID 2762762) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbutan-1-amine
PubChem CID2762762
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-pyrrolidin-1-ylbutan-1-amine
SMILESNCCCCN1CCCC1
InChIInChI=1S/C8H18N2/c9-5-1-2-6-10-7-3-4-8-10/h1-9H2
InChIKeyLSDYCEIPEBJKPT-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
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-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 4-pyrrolidin-1-ylbutan-1-amine (CID 2762762) is 4-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 4-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 4-pyrrolidin-1-ylbutan-1-amine is NCCCCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is LSDYCEIPEBJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c9-5-1-2-6-10-7-3-4-8-10/h1-9H2.
What are the key properties of 4-pyrrolidin-1-ylbutan-1-amine?
4-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 2762762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).