1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine

C10H19N3 — CID 11674905

IUPAC1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CN(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-12(2)7-9-5-6-10(11-9)8-13(3)4/h5-6,11H,7-8H2,1-4H3
InChIKeyUVZIFGJOZUTFLF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.14
Rot. Bonds4

About 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine

1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine (PubChem CID 11674905) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine
PubChem CID11674905
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CN(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-12(2)7-9-5-6-10(11-9)8-13(3)4/h5-6,11H,7-8H2,1-4H3
InChIKeyUVZIFGJOZUTFLF-UHFFFAOYSA-N
XLogP1.14
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine (CID 11674905) is 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CN(C)C)[nH]1.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is UVZIFGJOZUTFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-12(2)7-9-5-6-10(11-9)8-13(3)4/h5-6,11H,7-8H2,1-4H3.
What are the key properties of 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine?
1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11674905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).