(E)-N-methoxy-2,2-dimethylpentan-3-imine

C8H17NO — CID 122659260

IUPAC(E)-N-methoxy-2,2-dimethylpentan-3-imine
SMILESCC/C(=N\OC)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6-7(9-10-5)8(2,3)4/h6H2,1-5H3/b9-7+
InChIKeyRKVIMAPZPNBVBH-VQHVLOKHSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds2

About (E)-N-methoxy-2,2-dimethylpentan-3-imine

(E)-N-methoxy-2,2-dimethylpentan-3-imine (PubChem CID 122659260) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N-methoxy-2,2-dimethylpentan-3-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2,2-dimethylpentan-3-imine
PubChem CID122659260
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-N-methoxy-2,2-dimethylpentan-3-imine
SMILESCC/C(=N\OC)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6-7(9-10-5)8(2,3)4/h6H2,1-5H3/b9-7+
InChIKeyRKVIMAPZPNBVBH-VQHVLOKHSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-methoxy-2,2-dimethylpentan-3-imine?
The IUPAC name of (E)-N-methoxy-2,2-dimethylpentan-3-imine (CID 122659260) is (E)-N-methoxy-2,2-dimethylpentan-3-imine.
What is the SMILES notation for (E)-N-methoxy-2,2-dimethylpentan-3-imine?
The canonical SMILES for (E)-N-methoxy-2,2-dimethylpentan-3-imine is CC/C(=N\OC)C(C)(C)C.
What is the InChIKey of (E)-N-methoxy-2,2-dimethylpentan-3-imine?
The InChIKey is RKVIMAPZPNBVBH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-7(9-10-5)8(2,3)4/h6H2,1-5H3/b9-7+.
What are the key properties of (E)-N-methoxy-2,2-dimethylpentan-3-imine?
(E)-N-methoxy-2,2-dimethylpentan-3-imine has a molecular weight of 143.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2,2-dimethylpentan-3-imine is sourced from PubChem (CID 122659260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).