N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine

C15H21N — CID 123956751

IUPACN-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine
SMILESCCC/C=N/C=C(C)c1ccccc1CC
InChIInChI=1S/C15H21N/c1-4-6-11-16-12-13(3)15-10-8-7-9-14(15)5-2/h7-12H,4-6H2,1-3H3/b13-12?,16-11+
InChIKeySFFSPRUFWGHQPI-NLMGNCFASA-N
MW215.34 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine

N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine (PubChem CID 123956751) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine.

Molecular Properties

Compound NameN-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine
PubChem CID123956751
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine
SMILESCCC/C=N/C=C(C)c1ccccc1CC
InChIInChI=1S/C15H21N/c1-4-6-11-16-12-13(3)15-10-8-7-9-14(15)5-2/h7-12H,4-6H2,1-3H3/b13-12?,16-11+
InChIKeySFFSPRUFWGHQPI-NLMGNCFASA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
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2-ethylbenzoic acid;tungsten
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N'-amino-2-ethylbenzenecarboximidamide
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2-phenyliminoethyl 2-ethylbenzoate
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2-acetyloxyethyl 2-ethylbenzoate
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine?
The IUPAC name of N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine (CID 123956751) is N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine.
What is the SMILES notation for N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine?
The canonical SMILES for N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine is CCC/C=N/C=C(C)c1ccccc1CC.
What is the InChIKey of N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine?
The InChIKey is SFFSPRUFWGHQPI-NLMGNCFASA-N. The full InChI is InChI=1S/C15H21N/c1-4-6-11-16-12-13(3)15-10-8-7-9-14(15)5-2/h7-12H,4-6H2,1-3H3/b13-12?,16-11+.
What are the key properties of N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine?
N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine has a molecular weight of 215.34 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine is sourced from PubChem (CID 123956751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).