1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane

C15H21IN2 — CID 18424249

IUPAC1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane
SMILESCI.CN(C)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C14H18N2.CH3I/c1-15(2)12-14-9-6-10-16(14)11-13-7-4-3-5-8-13;1-2/h3-10H,11-12H2,1-2H3;1H3
InChIKeyNUWNJOMJJTUNNK-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.65
Rot. Bonds4

About 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane

1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane (PubChem CID 18424249) has the molecular formula C15H21IN2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane.

Molecular Properties

Compound Name1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane
PubChem CID18424249
Molecular FormulaC15H21IN2
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane
SMILESCI.CN(C)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C14H18N2.CH3I/c1-15(2)12-14-9-6-10-16(14)11-13-7-4-3-5-8-13;1-2/h3-10H,11-12H2,1-2H3;1H3
InChIKeyNUWNJOMJJTUNNK-UHFFFAOYSA-N
XLogP3.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane?
The IUPAC name of 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane (CID 18424249) is 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane.
What is the SMILES notation for 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane?
The canonical SMILES for 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane is CI.CN(C)Cc1cccn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane?
The InChIKey is NUWNJOMJJTUNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.CH3I/c1-15(2)12-14-9-6-10-16(14)11-13-7-4-3-5-8-13;1-2/h3-10H,11-12H2,1-2H3;1H3.
What are the key properties of 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane?
1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane has a molecular weight of 356.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane is sourced from PubChem (CID 18424249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).