1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine

C17H25N — CID 156516997

IUPAC1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine
SMILESC=C(C)CC(C)/C(=N\C)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C17H25N/c1-13(2)12-14(3)16(18-6)15-8-7-10-17(4,5)11-9-15/h7-11,14H,1,12H2,2-6H3/b18-16+
InChIKeyVIWSVUBUURUHLP-FBMGVBCBSA-N
MW243.39 g/mol
LogP4.74
Rot. Bonds4

About 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine

1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine (PubChem CID 156516997) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine.

Molecular Properties

Compound Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine
PubChem CID156516997
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine
SMILESC=C(C)CC(C)/C(=N\C)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C17H25N/c1-13(2)12-14(3)16(18-6)15-8-7-10-17(4,5)11-9-15/h7-11,14H,1,12H2,2-6H3/b18-16+
InChIKeyVIWSVUBUURUHLP-FBMGVBCBSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
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 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine?
The IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine (CID 156516997) is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine.
What is the SMILES notation for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine?
The canonical SMILES for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine is C=C(C)CC(C)/C(=N\C)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine?
The InChIKey is VIWSVUBUURUHLP-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H25N/c1-13(2)12-14(3)16(18-6)15-8-7-10-17(4,5)11-9-15/h7-11,14H,1,12H2,2-6H3/b18-16+.
What are the key properties of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine?
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine has a molecular weight of 243.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N,2,4-trimethylpent-4-en-1-imine is sourced from PubChem (CID 156516997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).