N-ethyl-4-propan-2-yloxyhexan-3-imine

C11H23NO — CID 146215684

IUPACN-ethyl-4-propan-2-yloxyhexan-3-imine
SMILESCC/N=C(\CC)C(CC)OC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(12-8-3)11(7-2)13-9(4)5/h9,11H,6-8H2,1-5H3/b12-10+
InChIKeyHSRZSFGGXPUFPT-ZRDIBKRKSA-N
MW185.31 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-4-propan-2-yloxyhexan-3-imine

N-ethyl-4-propan-2-yloxyhexan-3-imine (PubChem CID 146215684) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yloxyhexan-3-imine.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yloxyhexan-3-imine
PubChem CID146215684
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-4-propan-2-yloxyhexan-3-imine
SMILESCC/N=C(\CC)C(CC)OC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(12-8-3)11(7-2)13-9(4)5/h9,11H,6-8H2,1-5H3/b12-10+
InChIKeyHSRZSFGGXPUFPT-ZRDIBKRKSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yloxyhexan-3-imine?
The IUPAC name of N-ethyl-4-propan-2-yloxyhexan-3-imine (CID 146215684) is N-ethyl-4-propan-2-yloxyhexan-3-imine.
What is the SMILES notation for N-ethyl-4-propan-2-yloxyhexan-3-imine?
The canonical SMILES for N-ethyl-4-propan-2-yloxyhexan-3-imine is CC/N=C(\CC)C(CC)OC(C)C.
What is the InChIKey of N-ethyl-4-propan-2-yloxyhexan-3-imine?
The InChIKey is HSRZSFGGXPUFPT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(12-8-3)11(7-2)13-9(4)5/h9,11H,6-8H2,1-5H3/b12-10+.
What are the key properties of N-ethyl-4-propan-2-yloxyhexan-3-imine?
N-ethyl-4-propan-2-yloxyhexan-3-imine has a molecular weight of 185.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yloxyhexan-3-imine is sourced from PubChem (CID 146215684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).