4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine

C14H21N — CID 79592282

IUPAC4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
SMILESCCNCCC=Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H21N/c1-4-15-10-6-5-7-14-9-8-12(2)13(3)11-14/h5,7-9,11,15H,4,6,10H2,1-3H3
InChIKeyHKNCHJMXJQCDIA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.32
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine

4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine (PubChem CID 79592282) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
PubChem CID79592282
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
SMILESCCNCCC=Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H21N/c1-4-15-10-6-5-7-14-9-8-12(2)13(3)11-14/h5,7-9,11,15H,4,6,10H2,1-3H3
InChIKeyHKNCHJMXJQCDIA-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine (CID 79592282) is 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine is CCNCCC=Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine?
The InChIKey is HKNCHJMXJQCDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-15-10-6-5-7-14-9-8-12(2)13(3)11-14/h5,7-9,11,15H,4,6,10H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine?
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 79592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).