6-ethyl-6-methylcyclohepta-2,4-dien-1-imine

C10H15N — CID 123235528

IUPAC6-ethyl-6-methylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC(C)(CC)C1
InChIInChI=1S/C10H15N/c1-3-10(2)7-5-4-6-9(11)8-10/h4-7,11H,3,8H2,1-2H3/b11-9+
InChIKeyNSCYDCJLUZEEJM-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds1

About 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine

6-ethyl-6-methylcyclohepta-2,4-dien-1-imine (PubChem CID 123235528) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name6-ethyl-6-methylcyclohepta-2,4-dien-1-imine
PubChem CID123235528
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-ethyl-6-methylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC(C)(CC)C1
InChIInChI=1S/C10H15N/c1-3-10(2)7-5-4-6-9(11)8-10/h4-7,11H,3,8H2,1-2H3/b11-9+
InChIKeyNSCYDCJLUZEEJM-PKNBQFBNSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
4-Bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 90739036
4-[Ethyl(propan-2-yl)boranyl]-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 90770773
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
6,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 90807590
6,7,7-Trimethylcyclohepta-2,5-dien-1-imine
CID 90847674
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737
6-Methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
CID 91130436
4a,9a-Dihydrobenzo[7]annulen-5-imine
CID 91161416

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine (CID 123235528) is 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=CC=CC(C)(CC)C1.
What is the InChIKey of 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine?
The InChIKey is NSCYDCJLUZEEJM-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-3-10(2)7-5-4-6-9(11)8-10/h4-7,11H,3,8H2,1-2H3/b11-9+.
What are the key properties of 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine?
6-ethyl-6-methylcyclohepta-2,4-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123235528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).