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'}

Analyze 4-tert-butylcyclohexa-2,4-diene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide
CID 170147171
6-Fluoro-1-methylcyclohexa-2,4-diene-1-carboximidamide
CID 173214153
3-Ethyl-4-methylocta-4,6-dienimidamide
CID 90767630
Cyclohexa-2,4-diene-1-carboximidamide
CID 132196625
(3R)-4-(7-tert-butyl-3-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-3-methylbutanimidamide
CID 139408858
1-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 140451677
5-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 141889173
(Z)-3-[(Z)-prop-1-enyl]hex-3-enimidamide
CID 141965014
4-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 141972524
2-(3,3,4-Trimethylcyclohexa-1,5-dien-1-yl)propanimidamide
CID 142784985
3-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 142943316
4-methyl-N-propan-2-ylidenecyclohexa-2,4-diene-1-carboximidamide
CID 144638111

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).