azane;4-methoxy-3,3-dimethylbut-1-yne

C7H15NO — CID 155369377

IUPACazane;4-methoxy-3,3-dimethylbut-1-yne
SMILESC#CC(C)(C)COC.N
InChIInChI=1S/C7H12O.H3N/c1-5-7(2,3)6-8-4;/h1H,6H2,2-4H3;1H3
InChIKeyYUYXJMYTQYDFFX-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.45
Rot. Bonds2

About azane;4-methoxy-3,3-dimethylbut-1-yne

azane;4-methoxy-3,3-dimethylbut-1-yne (PubChem CID 155369377) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is azane;4-methoxy-3,3-dimethylbut-1-yne.

Molecular Properties

Compound Nameazane;4-methoxy-3,3-dimethylbut-1-yne
PubChem CID155369377
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameazane;4-methoxy-3,3-dimethylbut-1-yne
SMILESC#CC(C)(C)COC.N
InChIInChI=1S/C7H12O.H3N/c1-5-7(2,3)6-8-4;/h1H,6H2,2-4H3;1H3
InChIKeyYUYXJMYTQYDFFX-UHFFFAOYSA-N
XLogP1.45
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.45
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 azane;4-methoxy-3,3-dimethylbut-1-yne?
The IUPAC name of azane;4-methoxy-3,3-dimethylbut-1-yne (CID 155369377) is azane;4-methoxy-3,3-dimethylbut-1-yne.
What is the SMILES notation for azane;4-methoxy-3,3-dimethylbut-1-yne?
The canonical SMILES for azane;4-methoxy-3,3-dimethylbut-1-yne is C#CC(C)(C)COC.N.
What is the InChIKey of azane;4-methoxy-3,3-dimethylbut-1-yne?
The InChIKey is YUYXJMYTQYDFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.H3N/c1-5-7(2,3)6-8-4;/h1H,6H2,2-4H3;1H3.
What are the key properties of azane;4-methoxy-3,3-dimethylbut-1-yne?
azane;4-methoxy-3,3-dimethylbut-1-yne has a molecular weight of 129.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-methoxy-3,3-dimethylbut-1-yne is sourced from PubChem (CID 155369377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).