ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine

C14H23N — CID 143601110

IUPACethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
SMILESCC.[H]/N=C/C1(C)CC(C)=C(C)C=C1C=C
InChIInChI=1S/C12H17N.C2H6/c1-5-11-6-9(2)10(3)7-12(11,4)8-13;1-2/h5-6,8,13H,1,7H2,2-4H3;1-2H3/b13-8+;
InChIKeyBHDCWVUWPYFVIU-FNXZNAJJSA-N
MW205.34 g/mol
LogP4.52
Rot. Bonds2

About ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine

ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 143601110) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Nameethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID143601110
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
SMILESCC.[H]/N=C/C1(C)CC(C)=C(C)C=C1C=C
InChIInChI=1S/C12H17N.C2H6/c1-5-11-6-9(2)10(3)7-12(11,4)8-13;1-2/h5-6,8,13H,1,7H2,2-4H3;1-2H3/b13-8+;
InChIKeyBHDCWVUWPYFVIU-FNXZNAJJSA-N
XLogP4.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
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 ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine (CID 143601110) is ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine is CC.[H]/N=C/C1(C)CC(C)=C(C)C=C1C=C.
What is the InChIKey of ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is BHDCWVUWPYFVIU-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-5-11-6-9(2)10(3)7-12(11,4)8-13;1-2/h5-6,8,13H,1,7H2,2-4H3;1-2H3/b13-8+;.
What are the key properties of ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 205.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethenyl-1,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 143601110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).