2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine

C15H27N — CID 54292695

IUPAC2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine
SMILESCC(C)=CC=C(C)C.CC(C)=CN=C(C)C
InChIInChI=1S/C8H14.C7H13N/c1-7(2)5-6-8(3)4;1-6(2)5-8-7(3)4/h5-6H,1-4H3;5H,1-4H3
InChIKeyRYPWTOVEFITKGQ-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.31
Rot. Bonds2

About 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine

2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine (PubChem CID 54292695) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine.

Molecular Properties

Compound Name2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine
PubChem CID54292695
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine
SMILESCC(C)=CC=C(C)C.CC(C)=CN=C(C)C
InChIInChI=1S/C8H14.C7H13N/c1-7(2)5-6-8(3)4;1-6(2)5-8-7(3)4/h5-6H,1-4H3;5H,1-4H3
InChIKeyRYPWTOVEFITKGQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3E)-2-chloro-4-fluoro-6-methylhepta-1,3,5-trienyl]butan-2-imine
CID 139566359
N-[(1Z,3E)-penta-1,3-dienyl]propan-2-imine
CID 89352753
N-(2-ethyl-4-methylhexa-1,3-dienyl)propan-2-imine
CID 90975867
Methyl-(3-methylhepta-1,3,5-trienyl)-propan-2-ylideneazanium
CID 123423978
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-2-imine
CID 123578882
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]propan-2-imine
CID 123724519
N-(2,5-dimethylhexa-2,4-dien-3-yl)propan-2-imine
CID 123762983
N-[(2E)-2-methylpenta-2,4-dienyl]butan-2-imine
CID 126637190
N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine
CID 126637214
N-[(1Z,3Z)-2-methylhepta-1,3-dienyl]propan-2-imine
CID 126716386
N-[(1Z,3Z)-penta-1,3-dienyl]propan-2-imine
CID 130253886
N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine
CID 134224324

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine?
The IUPAC name of 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine (CID 54292695) is 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine.
What is the SMILES notation for 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine?
The canonical SMILES for 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine is CC(C)=CC=C(C)C.CC(C)=CN=C(C)C.
What is the InChIKey of 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine?
The InChIKey is RYPWTOVEFITKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C7H13N/c1-7(2)5-6-8(3)4;1-6(2)5-8-7(3)4/h5-6H,1-4H3;5H,1-4H3.
What are the key properties of 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine?
2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine has a molecular weight of 221.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexa-2,4-diene;N-(2-methylprop-1-enyl)propan-2-imine is sourced from PubChem (CID 54292695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).