N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine

C10H19N3O — CID 63295550

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1nccn1C
InChIInChI=1S/C10H19N3O/c1-9(2)14-7-5-11-8-10-12-4-6-13(10)3/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeyARPKFFVTKVBLII-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine

N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 63295550) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
PubChem CID63295550
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1nccn1C
InChIInChI=1S/C10H19N3O/c1-9(2)14-7-5-11-8-10-12-4-6-13(10)3/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeyARPKFFVTKVBLII-UHFFFAOYSA-N
XLogP0.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
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

2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
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-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60688989
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711772
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 166200639
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
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
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine (CID 63295550) is N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine is CC(C)OCCNCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is ARPKFFVTKVBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)14-7-5-11-8-10-12-4-6-13(10)3/h4,6,9,11H,5,7-8H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine?
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 197.28 g/mol, XLogP of 0.93, 6 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-propan-2-yloxyethanamine is sourced from PubChem (CID 63295550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).