propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine

C14H27N — CID 143601093

IUPACpropane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine
SMILESC/C=N/C1C(C)=C(C)CCC1C.CCC
InChIInChI=1S/C11H19N.C3H8/c1-5-12-11-9(3)7-6-8(2)10(11)4;1-3-2/h5,9,11H,6-7H2,1-4H3;3H2,1-2H3/b12-5+;
InChIKeyCZFLYTGZNBGCPT-NKPNRJPBSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds1

About propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine

propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine (PubChem CID 143601093) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine.

Molecular Properties

Compound Namepropane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine
PubChem CID143601093
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Namepropane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine
SMILESC/C=N/C1C(C)=C(C)CCC1C.CCC
InChIInChI=1S/C11H19N.C3H8/c1-5-12-11-9(3)7-6-8(2)10(11)4;1-3-2/h5,9,11H,6-7H2,1-4H3;3H2,1-2H3/b12-5+;
InChIKeyCZFLYTGZNBGCPT-NKPNRJPBSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
The IUPAC name of propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine (CID 143601093) is propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine.
What is the SMILES notation for propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
The canonical SMILES for propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine is C/C=N/C1C(C)=C(C)CCC1C.CCC.
What is the InChIKey of propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
The InChIKey is CZFLYTGZNBGCPT-NKPNRJPBSA-N. The full InChI is InChI=1S/C11H19N.C3H8/c1-5-12-11-9(3)7-6-8(2)10(11)4;1-3-2/h5,9,11H,6-7H2,1-4H3;3H2,1-2H3/b12-5+;.
What are the key properties of propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine?
propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine has a molecular weight of 209.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N-(2,3,6-trimethylcyclohex-2-en-1-yl)ethanimine is sourced from PubChem (CID 143601093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).