1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine

C9H15N — CID 171037066

IUPAC1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine
SMILESC#CC(C)(C)C1CN(C)C1
InChIInChI=1S/C9H15N/c1-5-9(2,3)8-6-10(4)7-8/h1,8H,6-7H2,2-4H3
InChIKeySGQCOURWGMUFNU-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.21
Rot. Bonds1

About 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine

1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine (PubChem CID 171037066) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine
PubChem CID171037066
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine
SMILESC#CC(C)(C)C1CN(C)C1
InChIInChI=1S/C9H15N/c1-5-9(2,3)8-6-10(4)7-8/h1,8H,6-7H2,2-4H3
InChIKeySGQCOURWGMUFNU-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine?
The IUPAC name of 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine (CID 171037066) is 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine.
What is the SMILES notation for 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine?
The canonical SMILES for 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine is C#CC(C)(C)C1CN(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine?
The InChIKey is SGQCOURWGMUFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(2,3)8-6-10(4)7-8/h1,8H,6-7H2,2-4H3.
What are the key properties of 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine?
1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine has a molecular weight of 137.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylbut-3-yn-2-yl)azetidine is sourced from PubChem (CID 171037066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).