2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol

C10H20N4O2 — CID 65312684

IUPAC2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol
SMILESCN(C)c1ncc(CNC(CO)CO)n1C
InChIInChI=1S/C10H20N4O2/c1-13(2)10-12-5-9(14(10)3)4-11-8(6-15)7-16/h5,8,11,15-16H,4,6-7H2,1-3H3
InChIKeyYMGYCXXJGYCEGT-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.07
Rot. Bonds6

About 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol

2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol (PubChem CID 65312684) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol
PubChem CID65312684
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol
SMILESCN(C)c1ncc(CNC(CO)CO)n1C
InChIInChI=1S/C10H20N4O2/c1-13(2)10-12-5-9(14(10)3)4-11-8(6-15)7-16/h5,8,11,15-16H,4,6-7H2,1-3H3
InChIKeyYMGYCXXJGYCEGT-UHFFFAOYSA-N
XLogP-1.07
TPSA73.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol?
The IUPAC name of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol (CID 65312684) is 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol?
The canonical SMILES for 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol is CN(C)c1ncc(CNC(CO)CO)n1C.
What is the InChIKey of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol?
The InChIKey is YMGYCXXJGYCEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-13(2)10-12-5-9(14(10)3)4-11-8(6-15)7-16/h5,8,11,15-16H,4,6-7H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol?
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol has a molecular weight of 228.30 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]propane-1,3-diol is sourced from PubChem (CID 65312684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).