3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine

C14H19N — CID 79977248

IUPAC3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine
SMILESCCNCC=Cc1cccc(C2CC2)c1
InChIInChI=1S/C14H19N/c1-2-15-10-4-6-12-5-3-7-14(11-12)13-8-9-13/h3-7,11,13,15H,2,8-10H2,1H3
InChIKeyWYJKVKHPXAFZQK-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.19
Rot. Bonds5

About 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine

3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine (PubChem CID 79977248) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine
PubChem CID79977248
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine
SMILESCCNCC=Cc1cccc(C2CC2)c1
InChIInChI=1S/C14H19N/c1-2-15-10-4-6-12-5-3-7-14(11-12)13-8-9-13/h3-7,11,13,15H,2,8-10H2,1H3
InChIKeyWYJKVKHPXAFZQK-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.19
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 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine (CID 79977248) is 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine is CCNCC=Cc1cccc(C2CC2)c1.
What is the InChIKey of 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is WYJKVKHPXAFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-15-10-4-6-12-5-3-7-14(11-12)13-8-9-13/h3-7,11,13,15H,2,8-10H2,1H3.
What are the key properties of 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine?
3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 79977248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).