2,4,4-trimethylcyclohepta-2,6-dien-1-imine

C10H15N — CID 123316029

IUPAC2,4,4-trimethylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)(C)C=C1C
InChIInChI=1S/C10H15N/c1-8-7-10(2,3)6-4-5-9(8)11/h4-5,7,11H,6H2,1-3H3/b11-9+
InChIKeyZYZCQHRYWUVWRS-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds

About 2,4,4-trimethylcyclohepta-2,6-dien-1-imine

2,4,4-trimethylcyclohepta-2,6-dien-1-imine (PubChem CID 123316029) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,4,4-trimethylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name2,4,4-trimethylcyclohepta-2,6-dien-1-imine
PubChem CID123316029
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,4,4-trimethylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)(C)C=C1C
InChIInChI=1S/C10H15N/c1-8-7-10(2,3)6-4-5-9(8)11/h4-5,7,11H,6H2,1-3H3/b11-9+
InChIKeyZYZCQHRYWUVWRS-PKNBQFBNSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 123673350
5-Dimethyl-2-cyclopentenimine
CID 129719770
(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
CID 88953849
(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 88966253
CID 88968558
CID 88968558
(1Z)-1-[(6Z)-4-ethyl-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-3,3-dimethylbutan-2-imine
CID 89231670
(5Z)-4-methylidenehepta-1,5-dien-3-imine
CID 89232449
(3E,5Z)-3-ethenylhepta-3,5-dien-2-imine
CID 89383702
2,5,5-Trimethylcyclohepta-2,6-dien-1-imine
CID 90693160
6,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 90807590
6,7,7-Trimethylcyclohepta-2,5-dien-1-imine
CID 90847674
3-Methylcyclohepta-2,6-dien-1-imine
CID 90847847

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 2,4,4-trimethylcyclohepta-2,6-dien-1-imine (CID 123316029) is 2,4,4-trimethylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 2,4,4-trimethylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 2,4,4-trimethylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCC(C)(C)C=C1C.
What is the InChIKey of 2,4,4-trimethylcyclohepta-2,6-dien-1-imine?
The InChIKey is ZYZCQHRYWUVWRS-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-8-7-10(2,3)6-4-5-9(8)11/h4-5,7,11H,6H2,1-3H3/b11-9+.
What are the key properties of 2,4,4-trimethylcyclohepta-2,6-dien-1-imine?
2,4,4-trimethylcyclohepta-2,6-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123316029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).