3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine

C10H17N — CID 89126967

IUPAC3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine
SMILESC#CC(C)C1CC(NCC)C1
InChIInChI=1S/C10H17N/c1-4-8(3)9-6-10(7-9)11-5-2/h1,8-11H,5-7H2,2-3H3
InChIKeyPIXRPZLJJQNQES-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.64
Rot. Bonds3

About 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine

3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine (PubChem CID 89126967) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine
PubChem CID89126967
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine
SMILESC#CC(C)C1CC(NCC)C1
InChIInChI=1S/C10H17N/c1-4-8(3)9-6-10(7-9)11-5-2/h1,8-11H,5-7H2,2-3H3
InChIKeyPIXRPZLJJQNQES-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine (CID 89126967) is 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine is C#CC(C)C1CC(NCC)C1.
What is the InChIKey of 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine?
The InChIKey is PIXRPZLJJQNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-8(3)9-6-10(7-9)11-5-2/h1,8-11H,5-7H2,2-3H3.
What are the key properties of 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine?
3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-yn-2-yl-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 89126967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).