1-(2-ethylphenyl)pent-4-en-1-amine

C13H19N — CID 104987661

IUPAC1-(2-ethylphenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccccc1CC
InChIInChI=1S/C13H19N/c1-3-5-10-13(14)12-9-7-6-8-11(12)4-2/h3,6-9,13H,1,4-5,10,14H2,2H3
InChIKeyBQUGQWDTSWIDOJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-ethylphenyl)pent-4-en-1-amine

1-(2-ethylphenyl)pent-4-en-1-amine (PubChem CID 104987661) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-ethylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)pent-4-en-1-amine
PubChem CID104987661
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2-ethylphenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccccc1CC
InChIInChI=1S/C13H19N/c1-3-5-10-13(14)12-9-7-6-8-11(12)4-2/h3,6-9,13H,1,4-5,10,14H2,2H3
InChIKeyBQUGQWDTSWIDOJ-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-ethylphenyl)pent-4-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
1-(2-ethylphenyl)hex-5-en-1-ol
CID 115804422
1-(2-ethylphenyl)hex-5-enylhydrazine
CID 105311405
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
1-(2-ethylphenyl)-3-methylidenepentan-1-amine
CID 105006111
1-(2-ethylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031433
(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
(1S)-1-(1-methylindol-3-yl)pent-4-en-1-amine
CID 171226482

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)pent-4-en-1-amine?
The IUPAC name of 1-(2-ethylphenyl)pent-4-en-1-amine (CID 104987661) is 1-(2-ethylphenyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2-ethylphenyl)pent-4-en-1-amine?
The canonical SMILES for 1-(2-ethylphenyl)pent-4-en-1-amine is C=CCCC(N)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)pent-4-en-1-amine?
The InChIKey is BQUGQWDTSWIDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-5-10-13(14)12-9-7-6-8-11(12)4-2/h3,6-9,13H,1,4-5,10,14H2,2H3.
What are the key properties of 1-(2-ethylphenyl)pent-4-en-1-amine?
1-(2-ethylphenyl)pent-4-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 104987661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).