3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol

C11H24N2O — CID 104840510

IUPAC3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
SMILESCCC1CCN(C(CO)C(N)CC)C1
InChIInChI=1S/C11H24N2O/c1-3-9-5-6-13(7-9)11(8-14)10(12)4-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyGJMOQYVTIIDWFQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds5

About 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol

3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 104840510) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
PubChem CID104840510
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
SMILESCCC1CCN(C(CO)C(N)CC)C1
InChIInChI=1S/C11H24N2O/c1-3-9-5-6-13(7-9)11(8-14)10(12)4-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyGJMOQYVTIIDWFQ-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol (CID 104840510) is 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol is CCC1CCN(C(CO)C(N)CC)C1.
What is the InChIKey of 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is GJMOQYVTIIDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-9-5-6-13(7-9)11(8-14)10(12)4-2/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol?
3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 104840510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).