1-[3-(2,2-dimethylpropoxy)propyl]imidazole

C11H20N2O — CID 166921523

IUPAC1-[3-(2,2-dimethylpropoxy)propyl]imidazole
SMILESCC(C)(C)COCCCn1ccnc1
InChIInChI=1S/C11H20N2O/c1-11(2,3)9-14-8-4-6-13-7-5-12-10-13/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyYUUJMQHFZZMGPK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.34
Rot. Bonds5

About 1-[3-(2,2-dimethylpropoxy)propyl]imidazole

1-[3-(2,2-dimethylpropoxy)propyl]imidazole (PubChem CID 166921523) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropoxy)propyl]imidazole
PubChem CID166921523
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[3-(2,2-dimethylpropoxy)propyl]imidazole
SMILESCC(C)(C)COCCCn1ccnc1
InChIInChI=1S/C11H20N2O/c1-11(2,3)9-14-8-4-6-13-7-5-12-10-13/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyYUUJMQHFZZMGPK-UHFFFAOYSA-N
XLogP2.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
4-imidazol-1-ylbutyl 2,2-dimethylpropanoate
CID 121289390
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
CID 118603482
2-ethyl-2-(3-imidazol-1-ylpropoxy)butan-1-amine
CID 65050699
1-(2-methoxyethyl)imidazole
CID 14366840

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropoxy)propyl]imidazole?
The IUPAC name of 1-[3-(2,2-dimethylpropoxy)propyl]imidazole (CID 166921523) is 1-[3-(2,2-dimethylpropoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(2,2-dimethylpropoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(2,2-dimethylpropoxy)propyl]imidazole is CC(C)(C)COCCCn1ccnc1.
What is the InChIKey of 1-[3-(2,2-dimethylpropoxy)propyl]imidazole?
The InChIKey is YUUJMQHFZZMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)9-14-8-4-6-13-7-5-12-10-13/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of 1-[3-(2,2-dimethylpropoxy)propyl]imidazole?
1-[3-(2,2-dimethylpropoxy)propyl]imidazole has a molecular weight of 196.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropoxy)propyl]imidazole is sourced from PubChem (CID 166921523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).