4-phenylbut-3-yn-1-amine

C10H11N — CID 15642991

IUPAC4-phenylbut-3-yn-1-amine
SMILESNCCC#Cc1ccccc1
InChIInChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9,11H2
InChIKeyVICFISWUVIINPR-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.39
Rot. Bonds1

About 4-phenylbut-3-yn-1-amine

4-phenylbut-3-yn-1-amine (PubChem CID 15642991) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-phenylbut-3-yn-1-amine.

Molecular Properties

Compound Name4-phenylbut-3-yn-1-amine
PubChem CID15642991
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4-phenylbut-3-yn-1-amine
SMILESNCCC#Cc1ccccc1
InChIInChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9,11H2
InChIKeyVICFISWUVIINPR-UHFFFAOYSA-N
XLogP1.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.39
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-phenylbut-3-yn-1-amine?
The IUPAC name of 4-phenylbut-3-yn-1-amine (CID 15642991) is 4-phenylbut-3-yn-1-amine.
What is the SMILES notation for 4-phenylbut-3-yn-1-amine?
The canonical SMILES for 4-phenylbut-3-yn-1-amine is NCCC#Cc1ccccc1.
What is the InChIKey of 4-phenylbut-3-yn-1-amine?
The InChIKey is VICFISWUVIINPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9,11H2.
What are the key properties of 4-phenylbut-3-yn-1-amine?
4-phenylbut-3-yn-1-amine has a molecular weight of 145.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbut-3-yn-1-amine is sourced from PubChem (CID 15642991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).