3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol

C9H20N2O — CID 82503311

IUPAC3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CCC(O)(CCN)C1
InChIInChI=1S/C9H20N2O/c1-8(2)11-6-4-9(12,7-11)3-5-10/h8,12H,3-7,10H2,1-2H3
InChIKeyWZNBYRFTDYUBKD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

About 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol

3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 82503311) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID82503311
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CCC(O)(CCN)C1
InChIInChI=1S/C9H20N2O/c1-8(2)11-6-4-9(12,7-11)3-5-10/h8,12H,3-7,10H2,1-2H3
InChIKeyWZNBYRFTDYUBKD-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
CID 83914587
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
CID 155039158
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 131609024

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol (CID 82503311) is 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CCC(O)(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is WZNBYRFTDYUBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)11-6-4-9(12,7-11)3-5-10/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol?
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 82503311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).