4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline

C13H18N4 — CID 82474486

IUPAC4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline
SMILESCc1[nH]c(CN)nc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N4/c1-9-13(16-12(8-14)15-9)10-4-6-11(7-5-10)17(2)3/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyVLEFOCOVOHCPKU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.91
Rot. Bonds3

About 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline

4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline (PubChem CID 82474486) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline
PubChem CID82474486
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline
SMILESCc1[nH]c(CN)nc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N4/c1-9-13(16-12(8-14)15-9)10-4-6-11(7-5-10)17(2)3/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyVLEFOCOVOHCPKU-UHFFFAOYSA-N
XLogP1.91
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline (CID 82474486) is 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline is Cc1[nH]c(CN)nc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline?
The InChIKey is VLEFOCOVOHCPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-13(16-12(8-14)15-9)10-4-6-11(7-5-10)17(2)3/h4-7H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline?
4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline has a molecular weight of 230.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-methyl-1H-imidazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82474486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).