4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol

C13H23N3O2 — CID 114952881

IUPAC4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
SMILESCc1nccn1CCN(C)CC1(O)CCOCC1
InChIInChI=1S/C13H23N3O2/c1-12-14-5-6-16(12)8-7-15(2)11-13(17)3-9-18-10-4-13/h5-6,17H,3-4,7-11H2,1-2H3
InChIKeyXBWGFZVQYSMHGQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.66
Rot. Bonds5

About 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol

4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol (PubChem CID 114952881) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
PubChem CID114952881
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
SMILESCc1nccn1CCN(C)CC1(O)CCOCC1
InChIInChI=1S/C13H23N3O2/c1-12-14-5-6-16(12)8-7-15(2)11-13(17)3-9-18-10-4-13/h5-6,17H,3-4,7-11H2,1-2H3
InChIKeyXBWGFZVQYSMHGQ-UHFFFAOYSA-N
XLogP0.66
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]imidazolidin-2-one
CID 114952986
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
4-[[3-(3-aminopyrazol-1-yl)propyl-methylamino]methyl]oxan-4-ol
CID 114948407
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 114950235
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol (CID 114952881) is 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol is Cc1nccn1CCN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol?
The InChIKey is XBWGFZVQYSMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12-14-5-6-16(12)8-7-15(2)11-13(17)3-9-18-10-4-13/h5-6,17H,3-4,7-11H2,1-2H3.
What are the key properties of 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol?
4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol has a molecular weight of 253.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).