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

C11H21N3O — CID 106581608

IUPAC1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
SMILESCC(C)OCCNc1nccn1C(C)C
InChIInChI=1S/C11H21N3O/c1-9(2)14-7-5-12-11(14)13-6-8-15-10(3)4/h5,7,9-10H,6,8H2,1-4H3,(H,12,13)
InChIKeyISXYWKGUBPGGCR-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.30
Rot. Bonds6

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

1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine (PubChem CID 106581608) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
PubChem CID106581608
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
SMILESCC(C)OCCNc1nccn1C(C)C
InChIInChI=1S/C11H21N3O/c1-9(2)14-7-5-12-11(14)13-6-8-15-10(3)4/h5,7,9-10H,6,8H2,1-4H3,(H,12,13)
InChIKeyISXYWKGUBPGGCR-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.30
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

N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
CID 106581739
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
CID 106571805
2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104762381
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine?
The IUPAC name of 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine (CID 106581608) is 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine?
The canonical SMILES for 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine is CC(C)OCCNc1nccn1C(C)C.
What is the InChIKey of 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine?
The InChIKey is ISXYWKGUBPGGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14-7-5-12-11(14)13-6-8-15-10(3)4/h5,7,9-10H,6,8H2,1-4H3,(H,12,13).
What are the key properties of 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine?
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine is sourced from PubChem (CID 106581608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).