2-iminohexadecanal

C16H31NO — CID 142761147

IUPAC2-iminohexadecanal
SMILES[H]/N=C(\C=O)CCCCCCCCCCCCCC
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15,17H,2-14H2,1H3/b17-16-
InChIKeyBHWGIHNLFFBNQM-MSUUIHNZSA-N
MW253.43 g/mol
LogP5.30
Rot. Bonds14

About 2-iminohexadecanal

2-iminohexadecanal (PubChem CID 142761147) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-iminohexadecanal.

Molecular Properties

Compound Name2-iminohexadecanal
PubChem CID142761147
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-iminohexadecanal
SMILES[H]/N=C(\C=O)CCCCCCCCCCCCCC
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15,17H,2-14H2,1H3/b17-16-
InChIKeyBHWGIHNLFFBNQM-MSUUIHNZSA-N
XLogP5.30
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.43
LogP ≤ 55.30
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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

formic acid;octadecanimidamide
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2-sulfanylidenenonanal
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CID 161078070
CID 161078070
1-carbamimidoyl-1-[(E)-1-oxoheptan-2-ylideneamino]guanidine
CID 91623146
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
CID 11105912
CID 11105912
formic acid;henicosane-7,12-dione
CID 175044766
3-iminododecan-1-ol
CID 57239624
2-sulfinylundecanal
CID 154594703
2-iminotetradecane-1-thiol
CID 167079244

Frequently Asked Questions

What is the IUPAC name of 2-iminohexadecanal?
The IUPAC name of 2-iminohexadecanal (CID 142761147) is 2-iminohexadecanal.
What is the SMILES notation for 2-iminohexadecanal?
The canonical SMILES for 2-iminohexadecanal is [H]/N=C(\C=O)CCCCCCCCCCCCCC.
What is the InChIKey of 2-iminohexadecanal?
The InChIKey is BHWGIHNLFFBNQM-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h15,17H,2-14H2,1H3/b17-16-.
What are the key properties of 2-iminohexadecanal?
2-iminohexadecanal has a molecular weight of 253.43 g/mol, XLogP of 5.30, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminohexadecanal is sourced from PubChem (CID 142761147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).