N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine

C16H23N — CID 123554059

IUPACN-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine
SMILESC=C/C(C=CCC(C)(C)C)=N\C1=CCCC=C1
InChIInChI=1S/C16H23N/c1-5-14(12-9-13-16(2,3)4)17-15-10-7-6-8-11-15/h5,7,9-12H,1,6,8,13H2,2-4H3/b12-9?,17-14+
InChIKeyFXXLQHWWYYKHCU-UQGMWKSPSA-N
MW229.37 g/mol
LogP4.84
Rot. Bonds4

About N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine

N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine (PubChem CID 123554059) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine
PubChem CID123554059
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine
SMILESC=C/C(C=CCC(C)(C)C)=N\C1=CCCC=C1
InChIInChI=1S/C16H23N/c1-5-14(12-9-13-16(2,3)4)17-15-10-7-6-8-11-15/h5,7,9-12H,1,6,8,13H2,2-4H3/b12-9?,17-14+
InChIKeyFXXLQHWWYYKHCU-UQGMWKSPSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine (CID 123554059) is N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine is C=C/C(C=CCC(C)(C)C)=N\C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine?
The InChIKey is FXXLQHWWYYKHCU-UQGMWKSPSA-N. The full InChI is InChI=1S/C16H23N/c1-5-14(12-9-13-16(2,3)4)17-15-10-7-6-8-11-15/h5,7,9-12H,1,6,8,13H2,2-4H3/b12-9?,17-14+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine?
N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine has a molecular weight of 229.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-7,7-dimethylocta-1,4-dien-3-imine is sourced from PubChem (CID 123554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).