(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine

C10H19NO — CID 143053134

IUPAC(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
SMILESC=C(O/N=C(/C)CC)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-7-8(2)11-12-9(3)10(4,5)6/h3,7H2,1-2,4-6H3/b11-8-
InChIKeyYNXWYFUZBLILLX-FLIBITNWSA-N
MW169.27 g/mol
LogP3.35
Rot. Bonds3

About (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine

(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine (PubChem CID 143053134) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine.

Molecular Properties

Compound Name(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
PubChem CID143053134
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
SMILESC=C(O/N=C(/C)CC)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-7-8(2)11-12-9(3)10(4,5)6/h3,7H2,1-2,4-6H3/b11-8-
InChIKeyYNXWYFUZBLILLX-FLIBITNWSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine?
The IUPAC name of (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine (CID 143053134) is (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine.
What is the SMILES notation for (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine?
The canonical SMILES for (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine is C=C(O/N=C(/C)CC)C(C)(C)C.
What is the InChIKey of (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine?
The InChIKey is YNXWYFUZBLILLX-FLIBITNWSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-8(2)11-12-9(3)10(4,5)6/h3,7H2,1-2,4-6H3/b11-8-.
What are the key properties of (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine?
(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine has a molecular weight of 169.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine is sourced from PubChem (CID 143053134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).