2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol

C10H19N3O — CID 106718552

IUPAC2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
SMILESCNCc1cn(CCC(C)(C)O)cn1
InChIInChI=1S/C10H19N3O/c1-10(2,14)4-5-13-7-9(6-11-3)12-8-13/h7-8,11,14H,4-6H2,1-3H3
InChIKeyJHPXASRCFYUMFE-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.76
Rot. Bonds5

About 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol

2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol (PubChem CID 106718552) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
PubChem CID106718552
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
SMILESCNCc1cn(CCC(C)(C)O)cn1
InChIInChI=1S/C10H19N3O/c1-10(2,14)4-5-13-7-9(6-11-3)12-8-13/h7-8,11,14H,4-6H2,1-3H3
InChIKeyJHPXASRCFYUMFE-UHFFFAOYSA-N
XLogP0.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718518
[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
CID 106717322
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide
CID 142616156
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
CID 106717490
N-methyl-1-[1-(2-methylpentyl)imidazol-4-yl]methanamine
CID 106718313
1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718361
4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
CID 79983161
N-[[1-(2-cyclobutylethyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114204494
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol (CID 106718552) is 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol is CNCc1cn(CCC(C)(C)O)cn1.
What is the InChIKey of 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol?
The InChIKey is JHPXASRCFYUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,14)4-5-13-7-9(6-11-3)12-8-13/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol?
2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 106718552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).