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

C12H21N3O2 — CID 113344645

IUPAC4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
SMILESCN(Cc1nccn1C)CC1(O)CCOCC1
InChIInChI=1S/C12H21N3O2/c1-14(9-11-13-5-6-15(11)2)10-12(16)3-7-17-8-4-12/h5-6,16H,3-4,7-10H2,1-2H3
InChIKeyAXMAUWQVDNLERH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.39
Rot. Bonds4

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

4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol (PubChem CID 113344645) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
PubChem CID113344645
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
SMILESCN(Cc1nccn1C)CC1(O)CCOCC1
InChIInChI=1S/C12H21N3O2/c1-14(9-11-13-5-6-15(11)2)10-12(16)3-7-17-8-4-12/h5-6,16H,3-4,7-10H2,1-2H3
InChIKeyAXMAUWQVDNLERH-UHFFFAOYSA-N
XLogP0.39
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
CID 114952881
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63025655
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 70788942
N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
CID 77071596
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxane-4-carboxamide
CID 63013244
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741934
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol (CID 113344645) is 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol is CN(Cc1nccn1C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol?
The InChIKey is AXMAUWQVDNLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14(9-11-13-5-6-15(11)2)10-12(16)3-7-17-8-4-12/h5-6,16H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol has a molecular weight of 239.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 113344645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).