3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine

C10H17N3O — CID 60688989

IUPAC3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESC=COCCCNCc1nccn1C
InChIInChI=1S/C10H17N3O/c1-3-14-8-4-5-11-9-10-12-6-7-13(10)2/h3,6-7,11H,1,4-5,8-9H2,2H3
InChIKeySNBRKJREIQDACA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.06
Rot. Bonds7

About 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine

3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 60688989) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID60688989
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESC=COCCCNCc1nccn1C
InChIInChI=1S/C10H17N3O/c1-3-14-8-4-5-11-9-10-12-6-7-13(10)2/h3,6-7,11H,1,4-5,8-9H2,2H3
InChIKeySNBRKJREIQDACA-UHFFFAOYSA-N
XLogP1.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 166200639
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzoic acid
CID 103251727
3-ethenoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 43771284
3-ethenoxy-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43771214
N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352515

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 60688989) is 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is C=COCCCNCc1nccn1C.
What is the InChIKey of 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is SNBRKJREIQDACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-14-8-4-5-11-9-10-12-6-7-13(10)2/h3,6-7,11H,1,4-5,8-9H2,2H3.
What are the key properties of 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 60688989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).