N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine

C14H25NO — CID 10861082

IUPACN-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
SMILESCCOC1=C/C(=N\C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C14H25NO/c1-7-16-12-8-11(15-13(2,3)4)9-14(5,6)10-12/h8H,7,9-10H2,1-6H3/b15-11+
InChIKeyIKOOIDGXOVGMRJ-RVDMUPIBSA-N
MW223.36 g/mol
LogP3.97
Rot. Bonds2

About N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine

N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine (PubChem CID 10861082) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
PubChem CID10861082
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
SMILESCCOC1=C/C(=N\C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C14H25NO/c1-7-16-12-8-11(15-13(2,3)4)9-14(5,6)10-12/h8H,7,9-10H2,1-6H3/b15-11+
InChIKeyIKOOIDGXOVGMRJ-RVDMUPIBSA-N
XLogP3.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The IUPAC name of N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine (CID 10861082) is N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine is CCOC1=C/C(=N\C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The InChIKey is IKOOIDGXOVGMRJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-16-12-8-11(15-13(2,3)4)9-14(5,6)10-12/h8H,7,9-10H2,1-6H3/b15-11+.
What are the key properties of N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine has a molecular weight of 223.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 10861082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).