1-(4-ethylphenyl)hex-1-yn-3-amine

C14H19N — CID 106225693

IUPAC1-(4-ethylphenyl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccc(CC)cc1
InChIInChI=1S/C14H19N/c1-3-5-14(15)11-10-13-8-6-12(4-2)7-9-13/h6-9,14H,3-5,15H2,1-2H3
InChIKeyOIMLEUFHRYGVRQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-ethylphenyl)hex-1-yn-3-amine

1-(4-ethylphenyl)hex-1-yn-3-amine (PubChem CID 106225693) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)hex-1-yn-3-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)hex-1-yn-3-amine
PubChem CID106225693
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(4-ethylphenyl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccc(CC)cc1
InChIInChI=1S/C14H19N/c1-3-5-14(15)11-10-13-8-6-12(4-2)7-9-13/h6-9,14H,3-5,15H2,1-2H3
InChIKeyOIMLEUFHRYGVRQ-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)hex-1-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)hex-1-yn-3-amine?
The IUPAC name of 1-(4-ethylphenyl)hex-1-yn-3-amine (CID 106225693) is 1-(4-ethylphenyl)hex-1-yn-3-amine.
What is the SMILES notation for 1-(4-ethylphenyl)hex-1-yn-3-amine?
The canonical SMILES for 1-(4-ethylphenyl)hex-1-yn-3-amine is CCCC(N)C#Cc1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)hex-1-yn-3-amine?
The InChIKey is OIMLEUFHRYGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-5-14(15)11-10-13-8-6-12(4-2)7-9-13/h6-9,14H,3-5,15H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)hex-1-yn-3-amine?
1-(4-ethylphenyl)hex-1-yn-3-amine has a molecular weight of 201.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)hex-1-yn-3-amine is sourced from PubChem (CID 106225693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).