5-propoxypentan-2-imine

C8H17NO — CID 142132478

IUPAC5-propoxypentan-2-imine
SMILES[H]/N=C(\C)CCCOCCC
InChIInChI=1S/C8H17NO/c1-3-6-10-7-4-5-8(2)9/h9H,3-7H2,1-2H3/b9-8+
InChIKeyXGWNMILBABTYGT-CMDGGOBGSA-N
MW143.23 g/mol
LogP2.23
Rot. Bonds6

About 5-propoxypentan-2-imine

5-propoxypentan-2-imine (PubChem CID 142132478) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-propoxypentan-2-imine.

Molecular Properties

Compound Name5-propoxypentan-2-imine
PubChem CID142132478
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-propoxypentan-2-imine
SMILES[H]/N=C(\C)CCCOCCC
InChIInChI=1S/C8H17NO/c1-3-6-10-7-4-5-8(2)9/h9H,3-7H2,1-2H3/b9-8+
InChIKeyXGWNMILBABTYGT-CMDGGOBGSA-N
XLogP2.23
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propoxypentan-2-imine?
The IUPAC name of 5-propoxypentan-2-imine (CID 142132478) is 5-propoxypentan-2-imine.
What is the SMILES notation for 5-propoxypentan-2-imine?
The canonical SMILES for 5-propoxypentan-2-imine is [H]/N=C(\C)CCCOCCC.
What is the InChIKey of 5-propoxypentan-2-imine?
The InChIKey is XGWNMILBABTYGT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-6-10-7-4-5-8(2)9/h9H,3-7H2,1-2H3/b9-8+.
What are the key properties of 5-propoxypentan-2-imine?
5-propoxypentan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxypentan-2-imine is sourced from PubChem (CID 142132478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).