3-butylpyrrolidin-1-amine

C8H18N2 — CID 123410412

IUPAC3-butylpyrrolidin-1-amine
SMILESCCCCC1CCN(N)C1
InChIInChI=1S/C8H18N2/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7,9H2,1H3
InChIKeyGELBJWWPJGATDT-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.37
Rot. Bonds3

About 3-butylpyrrolidin-1-amine

3-butylpyrrolidin-1-amine (PubChem CID 123410412) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-butylpyrrolidin-1-amine.

Molecular Properties

Compound Name3-butylpyrrolidin-1-amine
PubChem CID123410412
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-butylpyrrolidin-1-amine
SMILESCCCCC1CCN(N)C1
InChIInChI=1S/C8H18N2/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7,9H2,1H3
InChIKeyGELBJWWPJGATDT-UHFFFAOYSA-N
XLogP1.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butylpyrrolidin-1-amine?
The IUPAC name of 3-butylpyrrolidin-1-amine (CID 123410412) is 3-butylpyrrolidin-1-amine.
What is the SMILES notation for 3-butylpyrrolidin-1-amine?
The canonical SMILES for 3-butylpyrrolidin-1-amine is CCCCC1CCN(N)C1.
What is the InChIKey of 3-butylpyrrolidin-1-amine?
The InChIKey is GELBJWWPJGATDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7,9H2,1H3.
What are the key properties of 3-butylpyrrolidin-1-amine?
3-butylpyrrolidin-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpyrrolidin-1-amine is sourced from PubChem (CID 123410412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).