3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol

C10H17N3O2 — CID 103848451

IUPAC3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCn1cncc1CNCC1(O)CCOC1
InChIInChI=1S/C10H17N3O2/c1-13-8-12-5-9(13)4-11-6-10(14)2-3-15-7-10/h5,8,11,14H,2-4,6-7H2,1H3
InChIKeyQWQVXGKBSNIADQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.34
Rot. Bonds4

About 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol

3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 103848451) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
PubChem CID103848451
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
SMILESCn1cncc1CNCC1(O)CCOC1
InChIInChI=1S/C10H17N3O2/c1-13-8-12-5-9(13)4-11-6-10(14)2-3-15-7-10/h5,8,11,14H,2-4,6-7H2,1H3
InChIKeyQWQVXGKBSNIADQ-UHFFFAOYSA-N
XLogP-0.34
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848292
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol (CID 103848451) is 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol is Cn1cncc1CNCC1(O)CCOC1.
What is the InChIKey of 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is QWQVXGKBSNIADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-8-12-5-9(13)4-11-6-10(14)2-3-15-7-10/h5,8,11,14H,2-4,6-7H2,1H3.
What are the key properties of 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol?
3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 211.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).