4-pyrrolidin-2-yloxybutan-1-amine

C8H18N2O — CID 59180664

IUPAC4-pyrrolidin-2-yloxybutan-1-amine
SMILESNCCCCOC1CCCN1
InChIInChI=1S/C8H18N2O/c9-5-1-2-7-11-8-4-3-6-10-8/h8,10H,1-7,9H2
InChIKeyDZVBMAIFBRJHHY-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.45
Rot. Bonds5

About 4-pyrrolidin-2-yloxybutan-1-amine

4-pyrrolidin-2-yloxybutan-1-amine (PubChem CID 59180664) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-pyrrolidin-2-yloxybutan-1-amine.

Molecular Properties

Compound Name4-pyrrolidin-2-yloxybutan-1-amine
PubChem CID59180664
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-pyrrolidin-2-yloxybutan-1-amine
SMILESNCCCCOC1CCCN1
InChIInChI=1S/C8H18N2O/c9-5-1-2-7-11-8-4-3-6-10-8/h8,10H,1-7,9H2
InChIKeyDZVBMAIFBRJHHY-UHFFFAOYSA-N
XLogP0.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-yloxybutan-1-amine?
The IUPAC name of 4-pyrrolidin-2-yloxybutan-1-amine (CID 59180664) is 4-pyrrolidin-2-yloxybutan-1-amine.
What is the SMILES notation for 4-pyrrolidin-2-yloxybutan-1-amine?
The canonical SMILES for 4-pyrrolidin-2-yloxybutan-1-amine is NCCCCOC1CCCN1.
What is the InChIKey of 4-pyrrolidin-2-yloxybutan-1-amine?
The InChIKey is DZVBMAIFBRJHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-5-1-2-7-11-8-4-3-6-10-8/h8,10H,1-7,9H2.
What are the key properties of 4-pyrrolidin-2-yloxybutan-1-amine?
4-pyrrolidin-2-yloxybutan-1-amine has a molecular weight of 158.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-yloxybutan-1-amine is sourced from PubChem (CID 59180664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).