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

C20H38N6 — CID 139049240

IUPAC1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CN(C)C)[nH]1.CN(C)Cc1ccc(CN(C)C)[nH]1
InChIInChI=1S/2C10H19N3/c2*1-12(2)7-9-5-6-10(11-9)8-13(3)4/h2*5-6,11H,7-8H2,1-4H3
InChIKeyXINFTHGLTIGXOZ-UHFFFAOYSA-N
MW362.57 g/mol
LogP2.28
Rot. Bonds8

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 139049240) has the molecular formula C20H38N6 and a molecular weight of 362.57 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 CID139049240
Molecular FormulaC20H38N6
Molecular Weight362.57 g/mol
Exact Mass362.32
IUPAC Name1-[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CN(C)C)[nH]1.CN(C)Cc1ccc(CN(C)C)[nH]1
InChIInChI=1S/2C10H19N3/c2*1-12(2)7-9-5-6-10(11-9)8-13(3)4/h2*5-6,11H,7-8H2,1-4H3
InChIKeyXINFTHGLTIGXOZ-UHFFFAOYSA-N
XLogP2.28
TPSA44.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 139049240) 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.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 XINFTHGLTIGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N3/c2*1-12(2)7-9-5-6-10(11-9)8-13(3)4/h2*5-6,11H,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 362.57 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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 139049240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).