2-tert-butylcyclohexa-2,5-diene-1,4-diimine

C10H14N2 — CID 91589028

IUPAC2-tert-butylcyclohexa-2,5-diene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])C(C(C)(C)C)=C1
InChIInChI=1S/C10H14N2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3/b11-7+,12-9+
InChIKeyVWJFXOYWEJSSIA-HNWKWBPYSA-N
MW162.24 g/mol
LogP2.57
Rot. Bonds

About 2-tert-butylcyclohexa-2,5-diene-1,4-diimine

2-tert-butylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 91589028) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-tert-butylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name2-tert-butylcyclohexa-2,5-diene-1,4-diimine
PubChem CID91589028
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-tert-butylcyclohexa-2,5-diene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])C(C(C)(C)C)=C1
InChIInChI=1S/C10H14N2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3/b11-7+,12-9+
InChIKeyVWJFXOYWEJSSIA-HNWKWBPYSA-N
XLogP2.57
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-tert-butylcyclohexa-2,5-diene-1,4-diimine 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

4,4-Dimethyldiazocyclohex-2-ene
CID 129694194
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-Ethylcyclohexa-2,5-diene-1,4-diimine
CID 69932958
2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960
2,3-Bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
CID 70006995
2,5,5-Trimethylcyclohepta-2,6-dien-1-imine
CID 90693160
6,7,7-Trimethylcyclohepta-2,5-dien-1-imine
CID 90847674
(6-Imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine
CID 90898811

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 2-tert-butylcyclohexa-2,5-diene-1,4-diimine (CID 91589028) is 2-tert-butylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 2-tert-butylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 2-tert-butylcyclohexa-2,5-diene-1,4-diimine is [H]/N=C1\C=C/C(=N\[H])C(C(C)(C)C)=C1.
What is the InChIKey of 2-tert-butylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is VWJFXOYWEJSSIA-HNWKWBPYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3/b11-7+,12-9+.
What are the key properties of 2-tert-butylcyclohexa-2,5-diene-1,4-diimine?
2-tert-butylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 91589028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).