2-(3-ethynyl-1-methylcyclobutyl)ethanamine

C9H15N — CID 137413142

IUPAC2-(3-ethynyl-1-methylcyclobutyl)ethanamine
SMILESC#CC1CC(C)(CCN)C1
InChIInChI=1S/C9H15N/c1-3-8-6-9(2,7-8)4-5-10/h1,8H,4-7,10H2,2H3
InChIKeyGYLOQNSKJYGZRS-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.38
Rot. Bonds2

About 2-(3-ethynyl-1-methylcyclobutyl)ethanamine

2-(3-ethynyl-1-methylcyclobutyl)ethanamine (PubChem CID 137413142) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-(3-ethynyl-1-methylcyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethynyl-1-methylcyclobutyl)ethanamine
PubChem CID137413142
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-(3-ethynyl-1-methylcyclobutyl)ethanamine
SMILESC#CC1CC(C)(CCN)C1
InChIInChI=1S/C9H15N/c1-3-8-6-9(2,7-8)4-5-10/h1,8H,4-7,10H2,2H3
InChIKeyGYLOQNSKJYGZRS-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.38
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 2-(3-ethynyl-1-methylcyclobutyl)ethanamine?
The IUPAC name of 2-(3-ethynyl-1-methylcyclobutyl)ethanamine (CID 137413142) is 2-(3-ethynyl-1-methylcyclobutyl)ethanamine.
What is the SMILES notation for 2-(3-ethynyl-1-methylcyclobutyl)ethanamine?
The canonical SMILES for 2-(3-ethynyl-1-methylcyclobutyl)ethanamine is C#CC1CC(C)(CCN)C1.
What is the InChIKey of 2-(3-ethynyl-1-methylcyclobutyl)ethanamine?
The InChIKey is GYLOQNSKJYGZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6-9(2,7-8)4-5-10/h1,8H,4-7,10H2,2H3.
What are the key properties of 2-(3-ethynyl-1-methylcyclobutyl)ethanamine?
2-(3-ethynyl-1-methylcyclobutyl)ethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynyl-1-methylcyclobutyl)ethanamine is sourced from PubChem (CID 137413142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).