4-(2-cyclobutylphenyl)but-3-yn-1-amine

C14H17N — CID 114605003

IUPAC4-(2-cyclobutylphenyl)but-3-yn-1-amine
SMILESNCCC#Cc1ccccc1C1CCC1
InChIInChI=1S/C14H17N/c15-11-4-3-7-12-6-1-2-10-14(12)13-8-5-9-13/h1-2,6,10,13H,4-5,8-9,11,15H2
InChIKeyLSPLRQLEDVIHML-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.65
Rot. Bonds2

About 4-(2-cyclobutylphenyl)but-3-yn-1-amine

4-(2-cyclobutylphenyl)but-3-yn-1-amine (PubChem CID 114605003) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(2-cyclobutylphenyl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-(2-cyclobutylphenyl)but-3-yn-1-amine
PubChem CID114605003
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4-(2-cyclobutylphenyl)but-3-yn-1-amine
SMILESNCCC#Cc1ccccc1C1CCC1
InChIInChI=1S/C14H17N/c15-11-4-3-7-12-6-1-2-10-14(12)13-8-5-9-13/h1-2,6,10,13H,4-5,8-9,11,15H2
InChIKeyLSPLRQLEDVIHML-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-1-amine?
The IUPAC name of 4-(2-cyclobutylphenyl)but-3-yn-1-amine (CID 114605003) is 4-(2-cyclobutylphenyl)but-3-yn-1-amine.
What is the SMILES notation for 4-(2-cyclobutylphenyl)but-3-yn-1-amine?
The canonical SMILES for 4-(2-cyclobutylphenyl)but-3-yn-1-amine is NCCC#Cc1ccccc1C1CCC1.
What is the InChIKey of 4-(2-cyclobutylphenyl)but-3-yn-1-amine?
The InChIKey is LSPLRQLEDVIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c15-11-4-3-7-12-6-1-2-10-14(12)13-8-5-9-13/h1-2,6,10,13H,4-5,8-9,11,15H2.
What are the key properties of 4-(2-cyclobutylphenyl)but-3-yn-1-amine?
4-(2-cyclobutylphenyl)but-3-yn-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.65, 2 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-1-amine is sourced from PubChem (CID 114605003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).