(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine

C13H25NO — CID 143698077

IUPAC(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine
SMILESCCO/N=C\C(C)(C=C(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-8-15-14-10-13(7,9-11(2)3)12(4,5)6/h9-10H,8H2,1-7H3/b14-10-
InChIKeyJNOONJPJTZJTHO-UVTDQMKNSA-N
MW211.35 g/mol
LogP4.03
Rot. Bonds4

About (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine

(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine (PubChem CID 143698077) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine
PubChem CID143698077
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine
SMILESCCO/N=C\C(C)(C=C(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-8-15-14-10-13(7,9-11(2)3)12(4,5)6/h9-10H,8H2,1-7H3/b14-10-
InChIKeyJNOONJPJTZJTHO-UVTDQMKNSA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine?
The IUPAC name of (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine (CID 143698077) is (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine.
What is the SMILES notation for (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine?
The canonical SMILES for (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine is CCO/N=C\C(C)(C=C(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine?
The InChIKey is JNOONJPJTZJTHO-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H25NO/c1-8-15-14-10-13(7,9-11(2)3)12(4,5)6/h9-10H,8H2,1-7H3/b14-10-.
What are the key properties of (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine?
(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine has a molecular weight of 211.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine is sourced from PubChem (CID 143698077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).