1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine

C12H23N3O — CID 106568327

IUPAC1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
SMILESCCCCOCCn1ccnc1NC(C)C
InChIInChI=1S/C12H23N3O/c1-4-5-9-16-10-8-15-7-6-13-12(15)14-11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,13,14)
InChIKeyXOGDJCQHKMYIBZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.52
Rot. Bonds8

About 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine

1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106568327) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106568327
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
SMILESCCCCOCCn1ccnc1NC(C)C
InChIInChI=1S/C12H23N3O/c1-4-5-9-16-10-8-15-7-6-13-12(15)14-11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,13,14)
InChIKeyXOGDJCQHKMYIBZ-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.52
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-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
CID 106564650
1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
CID 106572756
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415
N-(1-ethoxypropan-2-yl)-1-propylimidazol-2-amine
CID 106565346
N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582356

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine (CID 106568327) is 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine is CCCCOCCn1ccnc1NC(C)C.
What is the InChIKey of 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is XOGDJCQHKMYIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-9-16-10-8-15-7-6-13-12(15)14-11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine?
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106568327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).