2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide

C11H18N2O — CID 114417116

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
SMILESC#CC(C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H18N2O/c1-3-9(2)13-10(14)7-11(8-12)5-4-6-11/h1,9H,4-8,12H2,2H3,(H,13,14)
InChIKeyGJVNHVDQJCKAEZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide

2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide (PubChem CID 114417116) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
PubChem CID114417116
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
SMILESC#CC(C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H18N2O/c1-3-9(2)13-10(14)7-11(8-12)5-4-6-11/h1,9H,4-8,12H2,2H3,(H,13,14)
InChIKeyGJVNHVDQJCKAEZ-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
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 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide (CID 114417116) is 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide is C#CC(C)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide?
The InChIKey is GJVNHVDQJCKAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9(2)13-10(14)7-11(8-12)5-4-6-11/h1,9H,4-8,12H2,2H3,(H,13,14).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide?
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide has a molecular weight of 194.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide is sourced from PubChem (CID 114417116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).