4-(methoxymethyl)hexan-3-imine

C8H17NO — CID 174619959

IUPAC4-(methoxymethyl)hexan-3-imine
SMILES[H]/N=C(\CC)C(CC)COC
InChIInChI=1S/C8H17NO/c1-4-7(6-10-3)8(9)5-2/h7,9H,4-6H2,1-3H3/b9-8+
InChIKeySBEIBCOHRZKXTF-CMDGGOBGSA-N
MW143.23 g/mol
LogP2.09
Rot. Bonds5

About 4-(methoxymethyl)hexan-3-imine

4-(methoxymethyl)hexan-3-imine (PubChem CID 174619959) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(methoxymethyl)hexan-3-imine.

Molecular Properties

Compound Name4-(methoxymethyl)hexan-3-imine
PubChem CID174619959
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(methoxymethyl)hexan-3-imine
SMILES[H]/N=C(\CC)C(CC)COC
InChIInChI=1S/C8H17NO/c1-4-7(6-10-3)8(9)5-2/h7,9H,4-6H2,1-3H3/b9-8+
InChIKeySBEIBCOHRZKXTF-CMDGGOBGSA-N
XLogP2.09
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.09
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-(methoxymethyl)hexan-3-imine?
The IUPAC name of 4-(methoxymethyl)hexan-3-imine (CID 174619959) is 4-(methoxymethyl)hexan-3-imine.
What is the SMILES notation for 4-(methoxymethyl)hexan-3-imine?
The canonical SMILES for 4-(methoxymethyl)hexan-3-imine is [H]/N=C(\CC)C(CC)COC.
What is the InChIKey of 4-(methoxymethyl)hexan-3-imine?
The InChIKey is SBEIBCOHRZKXTF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(6-10-3)8(9)5-2/h7,9H,4-6H2,1-3H3/b9-8+.
What are the key properties of 4-(methoxymethyl)hexan-3-imine?
4-(methoxymethyl)hexan-3-imine has a molecular weight of 143.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)hexan-3-imine is sourced from PubChem (CID 174619959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).