4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol

C8H18N2O — CID 130224977

IUPAC4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CC(O)C(CCN)C1
InChIInChI=1S/C8H18N2O/c1-2-10-5-7(3-4-9)8(11)6-10/h7-8,11H,2-6,9H2,1H3
InChIKeyZGKTXMWCFZHDLR-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds3

About 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol

4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol (PubChem CID 130224977) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol
PubChem CID130224977
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CC(O)C(CCN)C1
InChIInChI=1S/C8H18N2O/c1-2-10-5-7(3-4-9)8(11)6-10/h7-8,11H,2-6,9H2,1H3
InChIKeyZGKTXMWCFZHDLR-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol?
The IUPAC name of 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol (CID 130224977) is 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol?
The canonical SMILES for 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol is CCN1CC(O)C(CCN)C1.
What is the InChIKey of 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol?
The InChIKey is ZGKTXMWCFZHDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-10-5-7(3-4-9)8(11)6-10/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol?
4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-ethylpyrrolidin-3-ol is sourced from PubChem (CID 130224977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).