1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide

C9H14N2 — CID 153269815

IUPAC1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)C=CC(C)=CC1
InChIInChI=1S/C9H14N2/c1-7-3-5-9(2,6-4-7)8(10)11/h3-5H,6H2,1-2H3,(H3,10,11)
InChIKeyWWXBEZDKFWJQPC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.83
Rot. Bonds1

About 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide

1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 153269815) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID153269815
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)C=CC(C)=CC1
InChIInChI=1S/C9H14N2/c1-7-3-5-9(2,6-4-7)8(10)11/h3-5H,6H2,1-2H3,(H3,10,11)
InChIKeyWWXBEZDKFWJQPC-UHFFFAOYSA-N
XLogP1.83
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.83
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 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide (CID 153269815) is 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1(C)C=CC(C)=CC1.
What is the InChIKey of 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is WWXBEZDKFWJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-5-9(2,6-4-7)8(10)11/h3-5H,6H2,1-2H3,(H3,10,11).
What are the key properties of 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide?
1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 150.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 153269815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).