2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide

C15H24N2 — CID 126593883

IUPAC2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide
SMILESCCC/C=C/N=C(\N)C1=C(C)C(C)C(C)C=C1
InChIInChI=1S/C15H24N2/c1-5-6-7-10-17-15(16)14-9-8-11(2)12(3)13(14)4/h7-12H,5-6H2,1-4H3,(H2,16,17)/b10-7+
InChIKeyRXTZCCAKJFYJPT-JXMROGBWSA-N
MW232.37 g/mol
LogP3.82
Rot. Bonds4

About 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide

2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide (PubChem CID 126593883) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Name2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide
PubChem CID126593883
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide
SMILESCCC/C=C/N=C(\N)C1=C(C)C(C)C(C)C=C1
InChIInChI=1S/C15H24N2/c1-5-6-7-10-17-15(16)14-9-8-11(2)12(3)13(14)4/h7-12H,5-6H2,1-4H3,(H2,16,17)/b10-7+
InChIKeyRXTZCCAKJFYJPT-JXMROGBWSA-N
XLogP3.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide (CID 126593883) is 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide is CCC/C=C/N=C(\N)C1=C(C)C(C)C(C)C=C1.
What is the InChIKey of 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is RXTZCCAKJFYJPT-JXMROGBWSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-6-7-10-17-15(16)14-9-8-11(2)12(3)13(14)4/h7-12H,5-6H2,1-4H3,(H2,16,17)/b10-7+.
What are the key properties of 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide?
2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 232.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 126593883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).