4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol

C13H24N2O — CID 79355617

IUPAC4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol
SMILESCCNC(C)c1ccn(CCC(C)(C)O)c1
InChIInChI=1S/C13H24N2O/c1-5-14-11(2)12-6-8-15(10-12)9-7-13(3,4)16/h6,8,10-11,14,16H,5,7,9H2,1-4H3
InChIKeyZGNIXWUTTBUGEV-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.32
Rot. Bonds6

About 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol

4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol (PubChem CID 79355617) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol
PubChem CID79355617
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol
SMILESCCNC(C)c1ccn(CCC(C)(C)O)c1
InChIInChI=1S/C13H24N2O/c1-5-14-11(2)12-6-8-15(10-12)9-7-13(3,4)16/h6,8,10-11,14,16H,5,7,9H2,1-4H3
InChIKeyZGNIXWUTTBUGEV-UHFFFAOYSA-N
XLogP2.32
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol (CID 79355617) is 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol is CCNC(C)c1ccn(CCC(C)(C)O)c1.
What is the InChIKey of 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol?
The InChIKey is ZGNIXWUTTBUGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-14-11(2)12-6-8-15(10-12)9-7-13(3,4)16/h6,8,10-11,14,16H,5,7,9H2,1-4H3.
What are the key properties of 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol?
4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol has a molecular weight of 224.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79355617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).