(Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine

C8H17NO2 — CID 88538905

IUPAC(Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine
SMILESCOC/C(=N\OC)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)7(6-10-4)9-11-5/h6H2,1-5H3/b9-7+
InChIKeyAELWEOSTGWHLEP-VQHVLOKHSA-N
MW159.23 g/mol
LogP1.68
Rot. Bonds3

About (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine

(Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine (PubChem CID 88538905) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name(Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine
PubChem CID88538905
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine
SMILESCOC/C(=N\OC)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)7(6-10-4)9-11-5/h6H2,1-5H3/b9-7+
InChIKeyAELWEOSTGWHLEP-VQHVLOKHSA-N
XLogP1.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,1-dimethoxy-3,3-dimethylbutan-2-imine?
The IUPAC name of (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine (CID 88538905) is (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine.
What is the SMILES notation for (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine?
The canonical SMILES for (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine is COC/C(=N\OC)C(C)(C)C.
What is the InChIKey of (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine?
The InChIKey is AELWEOSTGWHLEP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)7(6-10-4)9-11-5/h6H2,1-5H3/b9-7+.
What are the key properties of (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine?
(Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine has a molecular weight of 159.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,1-dimethoxy-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 88538905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).