4-tert-butylcyclohexa-2,4-diene-1-carboximidamide

C11H18N2 — CID 147264212

IUPAC4-tert-butylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC(C(C)(C)C)=CC1
InChIInChI=1S/C11H18N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4,6-8H,5H2,1-3H3,(H3,12,13)
InChIKeyCPDXHQVUGVHSIG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.47
Rot. Bonds1

About 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide

4-tert-butylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 147264212) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID147264212
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-tert-butylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC(C(C)(C)C)=CC1
InChIInChI=1S/C11H18N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4,6-8H,5H2,1-3H3,(H3,12,13)
InChIKeyCPDXHQVUGVHSIG-UHFFFAOYSA-N
XLogP2.47
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.47
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 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide (CID 147264212) is 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C=CC(C(C)(C)C)=CC1.
What is the InChIKey of 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is CPDXHQVUGVHSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4,6-8H,5H2,1-3H3,(H3,12,13).
What are the key properties of 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide?
4-tert-butylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 178.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 147264212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).