2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol

C10H19N3O2 — CID 66169614

IUPAC2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(C)(O)CO)c1nccn1C
InChIInChI=1S/C10H19N3O2/c1-8(9-11-4-5-13(9)3)12-6-10(2,15)7-14/h4-5,8,12,14-15H,6-7H2,1-3H3
InChIKeyPGQFWPYRHWDEII-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.19
Rot. Bonds5

About 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol

2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol (PubChem CID 66169614) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
PubChem CID66169614
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(C)(O)CO)c1nccn1C
InChIInChI=1S/C10H19N3O2/c1-8(9-11-4-5-13(9)3)12-6-10(2,15)7-14/h4-5,8,12,14-15H,6-7H2,1-3H3
InChIKeyPGQFWPYRHWDEII-UHFFFAOYSA-N
XLogP-0.19
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol (CID 66169614) is 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol is CC(NCC(C)(O)CO)c1nccn1C.
What is the InChIKey of 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol?
The InChIKey is PGQFWPYRHWDEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(9-11-4-5-13(9)3)12-6-10(2,15)7-14/h4-5,8,12,14-15H,6-7H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol?
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol has a molecular weight of 213.28 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66169614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).