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

C10H19N3O2 — CID 103880603

IUPAC2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1cncn1C
InChIInChI=1S/C10H19N3O2/c1-3-10(6-14,7-15)12-5-9-4-11-8-13(9)2/h4,8,12,14-15H,3,5-7H2,1-2H3
InChIKeyPCVAKQVOEBLUHE-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.36
Rot. Bonds6

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

2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol (PubChem CID 103880603) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
PubChem CID103880603
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1cncn1C
InChIInChI=1S/C10H19N3O2/c1-3-10(6-14,7-15)12-5-9-4-11-8-13(9)2/h4,8,12,14-15H,3,5-7H2,1-2H3
InChIKeyPCVAKQVOEBLUHE-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 62517107
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
CID 115763109
2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol
CID 107865257
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
CID 103880578
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114940693

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol (CID 103880603) is 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1cncn1C.
What is the InChIKey of 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol?
The InChIKey is PCVAKQVOEBLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-10(6-14,7-15)12-5-9-4-11-8-13(9)2/h4,8,12,14-15H,3,5-7H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol has a molecular weight of 213.28 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 103880603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).