acetaldehyde;N-hexan-3-ylethanimine

C10H21NO — CID 143056248

IUPACacetaldehyde;N-hexan-3-ylethanimine
SMILESC/C=N/C(CC)CCC.CC=O
InChIInChI=1S/C8H17N.C2H4O/c1-4-7-8(5-2)9-6-3;1-2-3/h6,8H,4-5,7H2,1-3H3;2H,1H3/b9-6+;
InChIKeyXGCQXIUWKDETTH-MLBSPLJJSA-N
MW171.28 g/mol
LogP2.86
Rot. Bonds4

About acetaldehyde;N-hexan-3-ylethanimine

acetaldehyde;N-hexan-3-ylethanimine (PubChem CID 143056248) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is acetaldehyde;N-hexan-3-ylethanimine.

Molecular Properties

Compound Nameacetaldehyde;N-hexan-3-ylethanimine
PubChem CID143056248
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameacetaldehyde;N-hexan-3-ylethanimine
SMILESC/C=N/C(CC)CCC.CC=O
InChIInChI=1S/C8H17N.C2H4O/c1-4-7-8(5-2)9-6-3;1-2-3/h6,8H,4-5,7H2,1-3H3;2H,1H3/b9-6+;
InChIKeyXGCQXIUWKDETTH-MLBSPLJJSA-N
XLogP2.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-hexan-3-ylethanimine?
The IUPAC name of acetaldehyde;N-hexan-3-ylethanimine (CID 143056248) is acetaldehyde;N-hexan-3-ylethanimine.
What is the SMILES notation for acetaldehyde;N-hexan-3-ylethanimine?
The canonical SMILES for acetaldehyde;N-hexan-3-ylethanimine is C/C=N/C(CC)CCC.CC=O.
What is the InChIKey of acetaldehyde;N-hexan-3-ylethanimine?
The InChIKey is XGCQXIUWKDETTH-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H17N.C2H4O/c1-4-7-8(5-2)9-6-3;1-2-3/h6,8H,4-5,7H2,1-3H3;2H,1H3/b9-6+;.
What are the key properties of acetaldehyde;N-hexan-3-ylethanimine?
acetaldehyde;N-hexan-3-ylethanimine has a molecular weight of 171.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-hexan-3-ylethanimine is sourced from PubChem (CID 143056248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).