2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide

C15H26N2 — CID 126601347

IUPAC2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(C)=CC=C(C(C)C)C1(C)C(C)C
InChIInChI=1S/C15H26N2/c1-9(2)12-8-7-11(5)13(14(16)17)15(12,6)10(3)4/h7-10,13H,1-6H3,(H3,16,17)
InChIKeyLMCILGLZQRQUNC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.74
Rot. Bonds3

About 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide

2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide (PubChem CID 126601347) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
PubChem CID126601347
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(C)=CC=C(C(C)C)C1(C)C(C)C
InChIInChI=1S/C15H26N2/c1-9(2)12-8-7-11(5)13(14(16)17)15(12,6)10(3)4/h7-10,13H,1-6H3,(H3,16,17)
InChIKeyLMCILGLZQRQUNC-UHFFFAOYSA-N
XLogP3.74
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
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 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide (CID 126601347) is 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C(C)=CC=C(C(C)C)C1(C)C(C)C.
What is the InChIKey of 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is LMCILGLZQRQUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-9(2)12-8-7-11(5)13(14(16)17)15(12,6)10(3)4/h7-10,13H,1-6H3,(H3,16,17).
What are the key properties of 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 234.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 126601347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).