1-[2-(ethylamino)ethyl]pyrrolidin-3-ol

C8H18N2O — CID 62942090

IUPAC1-[2-(ethylamino)ethyl]pyrrolidin-3-ol
SMILESCCNCCN1CCC(O)C1
InChIInChI=1S/C8H18N2O/c1-2-9-4-6-10-5-3-8(11)7-10/h8-9,11H,2-7H2,1H3
InChIKeyHVJFRTSWPSHLOD-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds4

About 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol

1-[2-(ethylamino)ethyl]pyrrolidin-3-ol (PubChem CID 62942090) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]pyrrolidin-3-ol
PubChem CID62942090
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-[2-(ethylamino)ethyl]pyrrolidin-3-ol
SMILESCCNCCN1CCC(O)C1
InChIInChI=1S/C8H18N2O/c1-2-9-4-6-10-5-3-8(11)7-10/h8-9,11H,2-7H2,1H3
InChIKeyHVJFRTSWPSHLOD-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
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 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol (CID 62942090) is 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol is CCNCCN1CCC(O)C1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
The InChIKey is HVJFRTSWPSHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-9-4-6-10-5-3-8(11)7-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol?
1-[2-(ethylamino)ethyl]pyrrolidin-3-ol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).