(E)-N-hexoxy-3-methylbutan-2-imine

C11H23NO — CID 21300316

IUPAC(E)-N-hexoxy-3-methylbutan-2-imine
SMILESCCCCCCO/N=C(\C)C(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-8-9-13-12-11(4)10(2)3/h10H,5-9H2,1-4H3/b12-11+
InChIKeyCCQHLNJETPEMDL-VAWYXSNFSA-N
MW185.31 g/mol
LogP3.62
Rot. Bonds7

About (E)-N-hexoxy-3-methylbutan-2-imine

(E)-N-hexoxy-3-methylbutan-2-imine (PubChem CID 21300316) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-N-hexoxy-3-methylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-hexoxy-3-methylbutan-2-imine
PubChem CID21300316
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E)-N-hexoxy-3-methylbutan-2-imine
SMILESCCCCCCO/N=C(\C)C(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-8-9-13-12-11(4)10(2)3/h10H,5-9H2,1-4H3/b12-11+
InChIKeyCCQHLNJETPEMDL-VAWYXSNFSA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (E)-N-hexoxy-3-methylbutan-2-imine?
The IUPAC name of (E)-N-hexoxy-3-methylbutan-2-imine (CID 21300316) is (E)-N-hexoxy-3-methylbutan-2-imine.
What is the SMILES notation for (E)-N-hexoxy-3-methylbutan-2-imine?
The canonical SMILES for (E)-N-hexoxy-3-methylbutan-2-imine is CCCCCCO/N=C(\C)C(C)C.
What is the InChIKey of (E)-N-hexoxy-3-methylbutan-2-imine?
The InChIKey is CCQHLNJETPEMDL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-8-9-13-12-11(4)10(2)3/h10H,5-9H2,1-4H3/b12-11+.
What are the key properties of (E)-N-hexoxy-3-methylbutan-2-imine?
(E)-N-hexoxy-3-methylbutan-2-imine has a molecular weight of 185.31 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hexoxy-3-methylbutan-2-imine is sourced from PubChem (CID 21300316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).