5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine

C10H18N2 — CID 171761554

IUPAC5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine
SMILESCN1CNCC1C#CC(C)(C)C
InChIInChI=1S/C10H18N2/c1-10(2,3)6-5-9-7-11-8-12(9)4/h9,11H,7-8H2,1-4H3
InChIKeyUABJPOAEQOZKCI-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.90
Rot. Bonds

About 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine

5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine (PubChem CID 171761554) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine.

Molecular Properties

Compound Name5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine
PubChem CID171761554
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine
SMILESCN1CNCC1C#CC(C)(C)C
InChIInChI=1S/C10H18N2/c1-10(2,3)6-5-9-7-11-8-12(9)4/h9,11H,7-8H2,1-4H3
InChIKeyUABJPOAEQOZKCI-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine?
The IUPAC name of 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine (CID 171761554) is 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine.
What is the SMILES notation for 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine?
The canonical SMILES for 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine is CN1CNCC1C#CC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine?
The InChIKey is UABJPOAEQOZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)6-5-9-7-11-8-12(9)4/h9,11H,7-8H2,1-4H3.
What are the key properties of 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine?
5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine has a molecular weight of 166.27 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbut-1-ynyl)-1-methylimidazolidine is sourced from PubChem (CID 171761554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).