1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol

C12H22N2O — CID 79096861

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(CCN(C)C)c1
InChIInChI=1S/C12H22N2O/c1-10(2)12(15)11-5-6-14(9-11)8-7-13(3)4/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyZOMIHEQEUDJWAS-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79096861) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79096861
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(CCN(C)C)c1
InChIInChI=1S/C12H22N2O/c1-10(2)12(15)11-5-6-14(9-11)8-7-13(3)4/h5-6,9-10,12,15H,7-8H2,1-4H3
InChIKeyZOMIHEQEUDJWAS-UHFFFAOYSA-N
XLogP1.74
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol (CID 79096861) is 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol is CC(C)C(O)c1ccn(CCN(C)C)c1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is ZOMIHEQEUDJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)12(15)11-5-6-14(9-11)8-7-13(3)4/h5-6,9-10,12,15H,7-8H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79096861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).