5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide

C17H24N2 — CID 134383487

IUPAC5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(C)C=CC(c2ccc(C)cc2C)C1C
InChIInChI=1S/C17H24N2/c1-10-5-7-14(12(3)9-10)15-8-6-11(2)16(13(15)4)17(18)19/h5-9,11,13,15-16H,1-4H3,(H3,18,19)
InChIKeyVVYNGOHIAPKVHF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.78
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide

5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide (PubChem CID 134383487) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide
PubChem CID134383487
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(C)C=CC(c2ccc(C)cc2C)C1C
InChIInChI=1S/C17H24N2/c1-10-5-7-14(12(3)9-10)15-8-6-11(2)16(13(15)4)17(18)19/h5-9,11,13,15-16H,1-4H3,(H3,18,19)
InChIKeyVVYNGOHIAPKVHF-UHFFFAOYSA-N
XLogP3.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide?
The IUPAC name of 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide (CID 134383487) is 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide is [H]/N=C(\N)C1C(C)C=CC(c2ccc(C)cc2C)C1C.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide?
The InChIKey is VVYNGOHIAPKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-10-5-7-14(12(3)9-10)15-8-6-11(2)16(13(15)4)17(18)19/h5-9,11,13,15-16H,1-4H3,(H3,18,19).
What are the key properties of 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide?
5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide has a molecular weight of 256.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2,6-dimethylcyclohex-3-ene-1-carboximidamide is sourced from PubChem (CID 134383487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).