4-(2-cyclobutylphenyl)but-3-yn-2-amine

C14H17N — CID 114605008

IUPAC4-(2-cyclobutylphenyl)but-3-yn-2-amine
SMILESCC(N)C#Cc1ccccc1C1CCC1
InChIInChI=1S/C14H17N/c1-11(15)9-10-13-5-2-3-8-14(13)12-6-4-7-12/h2-3,5,8,11-12H,4,6-7,15H2,1H3
InChIKeySXJOFYKWDXHIDC-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.65
Rot. Bonds1

About 4-(2-cyclobutylphenyl)but-3-yn-2-amine

4-(2-cyclobutylphenyl)but-3-yn-2-amine (PubChem CID 114605008) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(2-cyclobutylphenyl)but-3-yn-2-amine.

Molecular Properties

Compound Name4-(2-cyclobutylphenyl)but-3-yn-2-amine
PubChem CID114605008
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4-(2-cyclobutylphenyl)but-3-yn-2-amine
SMILESCC(N)C#Cc1ccccc1C1CCC1
InChIInChI=1S/C14H17N/c1-11(15)9-10-13-5-2-3-8-14(13)12-6-4-7-12/h2-3,5,8,11-12H,4,6-7,15H2,1H3
InChIKeySXJOFYKWDXHIDC-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.65
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 4-(2-cyclobutylphenyl)but-3-yn-2-amine?
The IUPAC name of 4-(2-cyclobutylphenyl)but-3-yn-2-amine (CID 114605008) is 4-(2-cyclobutylphenyl)but-3-yn-2-amine.
What is the SMILES notation for 4-(2-cyclobutylphenyl)but-3-yn-2-amine?
The canonical SMILES for 4-(2-cyclobutylphenyl)but-3-yn-2-amine is CC(N)C#Cc1ccccc1C1CCC1.
What is the InChIKey of 4-(2-cyclobutylphenyl)but-3-yn-2-amine?
The InChIKey is SXJOFYKWDXHIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11(15)9-10-13-5-2-3-8-14(13)12-6-4-7-12/h2-3,5,8,11-12H,4,6-7,15H2,1H3.
What are the key properties of 4-(2-cyclobutylphenyl)but-3-yn-2-amine?
4-(2-cyclobutylphenyl)but-3-yn-2-amine has a molecular weight of 199.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylphenyl)but-3-yn-2-amine is sourced from PubChem (CID 114605008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).