1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine

C10H17N — CID 174323099

IUPAC1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine
SMILESC#CC(C)CNC1(C)CCC1
InChIInChI=1S/C10H17N/c1-4-9(2)8-11-10(3)6-5-7-10/h1,9,11H,5-8H2,2-3H3
InChIKeyCEYVGHIDBFSNIW-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine

1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine (PubChem CID 174323099) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine
PubChem CID174323099
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine
SMILESC#CC(C)CNC1(C)CCC1
InChIInChI=1S/C10H17N/c1-4-9(2)8-11-10(3)6-5-7-10/h1,9,11H,5-8H2,2-3H3
InChIKeyCEYVGHIDBFSNIW-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-N-(2-methylbut-3-ynyl)cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine (CID 174323099) is 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine is C#CC(C)CNC1(C)CCC1.
What is the InChIKey of 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine?
The InChIKey is CEYVGHIDBFSNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9(2)8-11-10(3)6-5-7-10/h1,9,11H,5-8H2,2-3H3.
What are the key properties of 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine?
1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine is sourced from PubChem (CID 174323099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).