1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide

C18H24N2 — CID 152745729

IUPAC1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2ccccc2C(C)(C)C)C=CC(C)=CC1
InChIInChI=1S/C18H24N2/c1-13-9-11-18(12-10-13,16(19)20)15-8-6-5-7-14(15)17(2,3)4/h5-11H,12H2,1-4H3,(H3,19,20)
InChIKeyJJFYKBKQFBIBTE-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.06
Rot. Bonds2

About 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide

1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 152745729) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID152745729
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2ccccc2C(C)(C)C)C=CC(C)=CC1
InChIInChI=1S/C18H24N2/c1-13-9-11-18(12-10-13,16(19)20)15-8-6-5-7-14(15)17(2,3)4/h5-11H,12H2,1-4H3,(H3,19,20)
InChIKeyJJFYKBKQFBIBTE-UHFFFAOYSA-N
XLogP4.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.06
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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Related Compounds

[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 70361784
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
(1,4-dimethylcyclohexa-2,4-dien-1-yl)thiourea
CID 141395156
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
9-(2-tert-butylphenyl)-9-methylfluorene
CID 101035230
CID 175472927
CID 175472927
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
5-(2-tert-butylphenyl)-6-iodo-1,3,5-trimethylcyclohexa-1,3-diene;trifluoromethanesulfonic acid
CID 175707907
3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
CID 62683206
1-tert-butyl-2-iodobenzene
CID 637957

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide (CID 152745729) is 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1(c2ccccc2C(C)(C)C)C=CC(C)=CC1.
What is the InChIKey of 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is JJFYKBKQFBIBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-9-11-18(12-10-13,16(19)20)15-8-6-5-7-14(15)17(2,3)4/h5-11H,12H2,1-4H3,(H3,19,20).
What are the key properties of 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide?
1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 268.40 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-4-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 152745729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).