N-butylpyrrolidin-3-amine

C8H18N2 — CID 23025363

IUPACN-butylpyrrolidin-3-amine
SMILESCCCCNC1CCNC1
InChIInChI=1S/C8H18N2/c1-2-3-5-10-8-4-6-9-7-8/h8-10H,2-7H2,1H3
InChIKeyYNGCZNHIALLNCP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds4

About N-butylpyrrolidin-3-amine

N-butylpyrrolidin-3-amine (PubChem CID 23025363) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-butylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-butylpyrrolidin-3-amine
PubChem CID23025363
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-butylpyrrolidin-3-amine
SMILESCCCCNC1CCNC1
InChIInChI=1S/C8H18N2/c1-2-3-5-10-8-4-6-9-7-8/h8-10H,2-7H2,1H3
InChIKeyYNGCZNHIALLNCP-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
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 N-butylpyrrolidin-3-amine?
The IUPAC name of N-butylpyrrolidin-3-amine (CID 23025363) is N-butylpyrrolidin-3-amine.
What is the SMILES notation for N-butylpyrrolidin-3-amine?
The canonical SMILES for N-butylpyrrolidin-3-amine is CCCCNC1CCNC1.
What is the InChIKey of N-butylpyrrolidin-3-amine?
The InChIKey is YNGCZNHIALLNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-3-5-10-8-4-6-9-7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-butylpyrrolidin-3-amine?
N-butylpyrrolidin-3-amine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpyrrolidin-3-amine is sourced from PubChem (CID 23025363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).