5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine

C11H19N — CID 70506921

IUPAC5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine
SMILESC=NCC.CC1(C)C=CC=CC1
InChIInChI=1S/C8H12.C3H7N/c1-8(2)6-4-3-5-7-8;1-3-4-2/h3-6H,7H2,1-2H3;2-3H2,1H3
InChIKeyGKDYKHSOUDPXJX-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds1

About 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine

5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine (PubChem CID 70506921) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine.

Molecular Properties

Compound Name5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine
PubChem CID70506921
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine
SMILESC=NCC.CC1(C)C=CC=CC1
InChIInChI=1S/C8H12.C3H7N/c1-8(2)6-4-3-5-7-8;1-3-4-2/h3-6H,7H2,1-2H3;2-3H2,1H3
InChIKeyGKDYKHSOUDPXJX-UHFFFAOYSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine?
The IUPAC name of 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine (CID 70506921) is 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine.
What is the SMILES notation for 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine?
The canonical SMILES for 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine is C=NCC.CC1(C)C=CC=CC1.
What is the InChIKey of 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine?
The InChIKey is GKDYKHSOUDPXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C3H7N/c1-8(2)6-4-3-5-7-8;1-3-4-2/h3-6H,7H2,1-2H3;2-3H2,1H3.
What are the key properties of 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine?
5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine is sourced from PubChem (CID 70506921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).