N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine

C10H17N — CID 130708258

IUPACN-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine
SMILESC#CC(C)NC1CC(C)(C)C1
InChIInChI=1S/C10H17N/c1-5-8(2)11-9-6-10(3,4)7-9/h1,8-9,11H,6-7H2,2-4H3
InChIKeyDDACGYNHTIRFJH-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds2

About N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine

N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine (PubChem CID 130708258) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine
PubChem CID130708258
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine
SMILESC#CC(C)NC1CC(C)(C)C1
InChIInChI=1S/C10H17N/c1-5-8(2)11-9-6-10(3,4)7-9/h1,8-9,11H,6-7H2,2-4H3
InChIKeyDDACGYNHTIRFJH-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine?
The IUPAC name of N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine (CID 130708258) is N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine?
The canonical SMILES for N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine is C#CC(C)NC1CC(C)(C)C1.
What is the InChIKey of N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine?
The InChIKey is DDACGYNHTIRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(2)11-9-6-10(3,4)7-9/h1,8-9,11H,6-7H2,2-4H3.
What are the key properties of N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine?
N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 130708258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).