(4E,8E)-2-aminoundeca-4,8-dienal

C11H19NO — CID 88787367

IUPAC(4E,8E)-2-aminoundeca-4,8-dienal
SMILESCC/C=C/CC/C=C/CC(N)C=O
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h3-4,7-8,10-11H,2,5-6,9,12H2,1H3/b4-3+,8-7+
InChIKeyZNGINHRMPGIBGU-DYWGDJMRSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds7

About (4E,8E)-2-aminoundeca-4,8-dienal

(4E,8E)-2-aminoundeca-4,8-dienal (PubChem CID 88787367) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4E,8E)-2-aminoundeca-4,8-dienal.

Molecular Properties

Compound Name(4E,8E)-2-aminoundeca-4,8-dienal
PubChem CID88787367
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4E,8E)-2-aminoundeca-4,8-dienal
SMILESCC/C=C/CC/C=C/CC(N)C=O
InChIInChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h3-4,7-8,10-11H,2,5-6,9,12H2,1H3/b4-3+,8-7+
InChIKeyZNGINHRMPGIBGU-DYWGDJMRSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-aminooct-4-enal
CID 166965204
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
10-methylundeca-3,7-diene
CID 91333064
(2E)-nona-2,6-dienal
CID 6992048
(Z)-1,1,1-trifluorohept-4-en-2-amine
CID 55283427
2-ethylundeca-5,8-dienal
CID 140806984
docosa-4,8,12,15,19-pentaenal
CID 54481142
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methylsulfinyldocosa-4,7,10,13,16,19-hexaenal
CID 87856951
formic acid;(2E,6Z)-nona-2,6-dien-1-ol
CID 170840037
ethyl (4E,8Z,11Z,14Z,17Z)-2-propylicosa-4,8,11,14,17-pentaenoate
CID 59187782
(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal
CID 173492109

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-2-aminoundeca-4,8-dienal?
The IUPAC name of (4E,8E)-2-aminoundeca-4,8-dienal (CID 88787367) is (4E,8E)-2-aminoundeca-4,8-dienal.
What is the SMILES notation for (4E,8E)-2-aminoundeca-4,8-dienal?
The canonical SMILES for (4E,8E)-2-aminoundeca-4,8-dienal is CC/C=C/CC/C=C/CC(N)C=O.
What is the InChIKey of (4E,8E)-2-aminoundeca-4,8-dienal?
The InChIKey is ZNGINHRMPGIBGU-DYWGDJMRSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h3-4,7-8,10-11H,2,5-6,9,12H2,1H3/b4-3+,8-7+.
What are the key properties of (4E,8E)-2-aminoundeca-4,8-dienal?
(4E,8E)-2-aminoundeca-4,8-dienal has a molecular weight of 181.28 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-2-aminoundeca-4,8-dienal is sourced from PubChem (CID 88787367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).