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

C11H23NO — CID 146215912

IUPAC4-ethyl-4-propan-2-yloxyhexan-3-imine
SMILES[H]/N=C(\CC)C(CC)(CC)OC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(12)11(7-2,8-3)13-9(4)5/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyJMUDSRNONVUWBC-ZRDIBKRKSA-N
MW185.31 g/mol
LogP3.40
Rot. Bonds6

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

4-ethyl-4-propan-2-yloxyhexan-3-imine (PubChem CID 146215912) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-ethyl-4-propan-2-yloxyhexan-3-imine.

Molecular Properties

Compound Name4-ethyl-4-propan-2-yloxyhexan-3-imine
PubChem CID146215912
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-ethyl-4-propan-2-yloxyhexan-3-imine
SMILES[H]/N=C(\CC)C(CC)(CC)OC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(12)11(7-2,8-3)13-9(4)5/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyJMUDSRNONVUWBC-ZRDIBKRKSA-N
XLogP3.40
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 4-ethyl-4-propan-2-yloxyhexan-3-imine?
The IUPAC name of 4-ethyl-4-propan-2-yloxyhexan-3-imine (CID 146215912) is 4-ethyl-4-propan-2-yloxyhexan-3-imine.
What is the SMILES notation for 4-ethyl-4-propan-2-yloxyhexan-3-imine?
The canonical SMILES for 4-ethyl-4-propan-2-yloxyhexan-3-imine is [H]/N=C(\CC)C(CC)(CC)OC(C)C.
What is the InChIKey of 4-ethyl-4-propan-2-yloxyhexan-3-imine?
The InChIKey is JMUDSRNONVUWBC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(12)11(7-2,8-3)13-9(4)5/h9,12H,6-8H2,1-5H3/b12-10+.
What are the key properties of 4-ethyl-4-propan-2-yloxyhexan-3-imine?
4-ethyl-4-propan-2-yloxyhexan-3-imine has a molecular weight of 185.31 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-propan-2-yloxyhexan-3-imine is sourced from PubChem (CID 146215912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).