N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine

C11H19N3O — CID 61039260

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCn1ccnc1CNCCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-14-7-6-13-11(14)9-12-5-4-10-3-2-8-15-10/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyALBFVEHMCQMTAA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.08
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 61039260) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID61039260
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCn1ccnc1CNCCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-14-7-6-13-11(14)9-12-5-4-10-3-2-8-15-10/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyALBFVEHMCQMTAA-UHFFFAOYSA-N
XLogP1.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
CID 115811846
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62747716
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
N-[[1-[3-(oxolan-2-yl)propyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162326
2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 115762902
N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
CID 65164054
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567497

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 61039260) is N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine is Cn1ccnc1CNCCC1CCCO1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is ALBFVEHMCQMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-7-6-13-11(14)9-12-5-4-10-3-2-8-15-10/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61039260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).