N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine

C8H15N3O — CID 106581604

IUPACN-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine
SMILESCC(C)OCCNc1ncc[nH]1
InChIInChI=1S/C8H15N3O/c1-7(2)12-6-5-11-8-9-3-4-10-8/h3-4,7H,5-6H2,1-2H3,(H2,9,10,11)
InChIKeySTTQVIBGIBPUQW-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.25
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine

N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine (PubChem CID 106581604) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine
PubChem CID106581604
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine
SMILESCC(C)OCCNc1ncc[nH]1
InChIInChI=1S/C8H15N3O/c1-7(2)12-6-5-11-8-9-3-4-10-8/h3-4,7H,5-6H2,1-2H3,(H2,9,10,11)
InChIKeySTTQVIBGIBPUQW-UHFFFAOYSA-N
XLogP1.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(1H-imidazol-2-yl)propane-1,2-diamine
CID 139950297
N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
CID 106580953
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
N-(2-phenylpropyl)-1H-imidazol-2-amine
CID 106581004
N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine
CID 10948632
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577175
3-N,3-N-dimethyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 133475780
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
2-N-(2-propan-2-yloxyethyl)-3H-benzimidazole-2,5-diamine
CID 113449876
N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055
N-(3-azidopropyl)-1H-imidazol-2-amine
CID 89395951

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine (CID 106581604) is N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine is CC(C)OCCNc1ncc[nH]1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine?
The InChIKey is STTQVIBGIBPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(2)12-6-5-11-8-9-3-4-10-8/h3-4,7H,5-6H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine?
N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine has a molecular weight of 169.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106581604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).