1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine

C11H21N3 — CID 79102534

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1CCN(C)C
InChIInChI=1S/C11H21N3/c1-10(12-2)11-6-5-7-14(11)9-8-13(3)4/h5-7,10,12H,8-9H2,1-4H3
InChIKeyOHNRCENUMRCXKJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.33
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine

1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine (PubChem CID 79102534) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine
PubChem CID79102534
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1CCN(C)C
InChIInChI=1S/C11H21N3/c1-10(12-2)11-6-5-7-14(11)9-8-13(3)4/h5-7,10,12H,8-9H2,1-4H3
InChIKeyOHNRCENUMRCXKJ-UHFFFAOYSA-N
XLogP1.33
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.33
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-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine (CID 79102534) is 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine is CNC(C)c1cccn1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine?
The InChIKey is OHNRCENUMRCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(12-2)11-6-5-7-14(11)9-8-13(3)4/h5-7,10,12H,8-9H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine?
1-[1-[2-(dimethylamino)ethyl]pyrrol-2-yl]-N-methylethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.33, 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-2-yl]-N-methylethanamine is sourced from PubChem (CID 79102534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).