4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol

C11H24N2O — CID 58858768

IUPAC4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol
SMILESCCN1CCCC1CNCCCCO
InChIInChI=1S/C11H24N2O/c1-2-13-8-5-6-11(13)10-12-7-3-4-9-14/h11-12,14H,2-10H2,1H3
InChIKeyABBOOWKUCCJCPI-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds7

About 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol

4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol (PubChem CID 58858768) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol
PubChem CID58858768
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol
SMILESCCN1CCCC1CNCCCCO
InChIInChI=1S/C11H24N2O/c1-2-13-8-5-6-11(13)10-12-7-3-4-9-14/h11-12,14H,2-10H2,1H3
InChIKeyABBOOWKUCCJCPI-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
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-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol?
The IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol (CID 58858768) is 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol is CCN1CCCC1CNCCCCO.
What is the InChIKey of 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol?
The InChIKey is ABBOOWKUCCJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-13-8-5-6-11(13)10-12-7-3-4-9-14/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol?
4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 58858768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).