3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol

C10H19N3O2 — CID 66168390

IUPAC3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCCn1cncc1CNCC(C)(O)CO
InChIInChI=1S/C10H19N3O2/c1-3-13-8-12-5-9(13)4-11-6-10(2,15)7-14/h5,8,11,14-15H,3-4,6-7H2,1-2H3
InChIKeyAPMBBSUFFIFHEK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.26
Rot. Bonds6

About 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol

3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66168390) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66168390
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCCn1cncc1CNCC(C)(O)CO
InChIInChI=1S/C10H19N3O2/c1-3-13-8-12-5-9(13)4-11-6-10(2,15)7-14/h5,8,11,14-15H,3-4,6-7H2,1-2H3
InChIKeyAPMBBSUFFIFHEK-UHFFFAOYSA-N
XLogP-0.26
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66445604
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 66134447
2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol
CID 114169219
N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66135456
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
CID 104766869
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol (CID 66168390) is 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol is CCn1cncc1CNCC(C)(O)CO.
What is the InChIKey of 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is APMBBSUFFIFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-13-8-12-5-9(13)4-11-6-10(2,15)7-14/h5,8,11,14-15H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol?
3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 213.28 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66168390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).