4-(3-propan-2-ylphenyl)hex-5-en-2-imine

C15H21N — CID 144681199

IUPAC4-(3-propan-2-ylphenyl)hex-5-en-2-imine
SMILES[H]/N=C(\C)CC(C=C)c1cccc(C(C)C)c1
InChIInChI=1S/C15H21N/c1-5-13(9-12(4)16)15-8-6-7-14(10-15)11(2)3/h5-8,10-11,13,16H,1,9H2,2-4H3/b16-12+
InChIKeyDSJZFZFXVUBKFK-FOWTUZBSSA-N
MW215.34 g/mol
LogP4.51
Rot. Bonds5

About 4-(3-propan-2-ylphenyl)hex-5-en-2-imine

4-(3-propan-2-ylphenyl)hex-5-en-2-imine (PubChem CID 144681199) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(3-propan-2-ylphenyl)hex-5-en-2-imine.

Molecular Properties

Compound Name4-(3-propan-2-ylphenyl)hex-5-en-2-imine
PubChem CID144681199
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4-(3-propan-2-ylphenyl)hex-5-en-2-imine
SMILES[H]/N=C(\C)CC(C=C)c1cccc(C(C)C)c1
InChIInChI=1S/C15H21N/c1-5-13(9-12(4)16)15-8-6-7-14(10-15)11(2)3/h5-8,10-11,13,16H,1,9H2,2-4H3/b16-12+
InChIKeyDSJZFZFXVUBKFK-FOWTUZBSSA-N
XLogP4.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylphenyl)hex-5-en-2-imine?
The IUPAC name of 4-(3-propan-2-ylphenyl)hex-5-en-2-imine (CID 144681199) is 4-(3-propan-2-ylphenyl)hex-5-en-2-imine.
What is the SMILES notation for 4-(3-propan-2-ylphenyl)hex-5-en-2-imine?
The canonical SMILES for 4-(3-propan-2-ylphenyl)hex-5-en-2-imine is [H]/N=C(\C)CC(C=C)c1cccc(C(C)C)c1.
What is the InChIKey of 4-(3-propan-2-ylphenyl)hex-5-en-2-imine?
The InChIKey is DSJZFZFXVUBKFK-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21N/c1-5-13(9-12(4)16)15-8-6-7-14(10-15)11(2)3/h5-8,10-11,13,16H,1,9H2,2-4H3/b16-12+.
What are the key properties of 4-(3-propan-2-ylphenyl)hex-5-en-2-imine?
4-(3-propan-2-ylphenyl)hex-5-en-2-imine has a molecular weight of 215.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylphenyl)hex-5-en-2-imine is sourced from PubChem (CID 144681199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).