2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine

C14H21N — CID 123713088

IUPAC2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine
SMILES[H]/N=C1\C(C)C=C(C(=C)C=CC)C(C)C1C
InChIInChI=1S/C14H21N/c1-6-7-9(2)13-8-10(3)14(15)12(5)11(13)4/h6-8,10-12,15H,2H2,1,3-5H3/b7-6?,15-14+
InChIKeySZNYEYBMISYOHE-NPBULVNOSA-N
MW203.33 g/mol
LogP3.99
Rot. Bonds2

About 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine

2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine (PubChem CID 123713088) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine.

Molecular Properties

Compound Name2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine
PubChem CID123713088
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine
SMILES[H]/N=C1\C(C)C=C(C(=C)C=CC)C(C)C1C
InChIInChI=1S/C14H21N/c1-6-7-9(2)13-8-10(3)14(15)12(5)11(13)4/h6-8,10-12,15H,2H2,1,3-5H3/b7-6?,15-14+
InChIKeySZNYEYBMISYOHE-NPBULVNOSA-N
XLogP3.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine?
The IUPAC name of 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine (CID 123713088) is 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine.
What is the SMILES notation for 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine?
The canonical SMILES for 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine is [H]/N=C1\C(C)C=C(C(=C)C=CC)C(C)C1C.
What is the InChIKey of 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine?
The InChIKey is SZNYEYBMISYOHE-NPBULVNOSA-N. The full InChI is InChI=1S/C14H21N/c1-6-7-9(2)13-8-10(3)14(15)12(5)11(13)4/h6-8,10-12,15H,2H2,1,3-5H3/b7-6?,15-14+.
What are the key properties of 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine?
2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine has a molecular weight of 203.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine is sourced from PubChem (CID 123713088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).