octacosylidenecyanamide

C29H56N2 — CID 21412222

IUPACoctacosylidenecyanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=N/C#N
InChIInChI=1S/C29H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29-30/h28H,2-27H2,1H3/b31-28+
InChIKeyUKDXNAYJJXRDRS-CCFHIKDMSA-N
MW432.78 g/mol
LogP10.70
Rot. Bonds26

About octacosylidenecyanamide

octacosylidenecyanamide (PubChem CID 21412222) has the molecular formula C29H56N2 and a molecular weight of 432.78 g/mol. Its IUPAC name is octacosylidenecyanamide.

Molecular Properties

Compound Nameoctacosylidenecyanamide
PubChem CID21412222
Molecular FormulaC29H56N2
Molecular Weight432.78 g/mol
Exact Mass432.44
IUPAC Nameoctacosylidenecyanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=N/C#N
InChIInChI=1S/C29H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29-30/h28H,2-27H2,1H3/b31-28+
InChIKeyUKDXNAYJJXRDRS-CCFHIKDMSA-N
XLogP10.70
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undecylidenecyanamide
CID 21412181
butylidenecyanamide
CID 21412158
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-methyloctadecan-1-imine
CID 54409483
(NE)-N-octylidenehydroxylamine
CID 5385260
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-tetradecyltridecan-1-imine
CID 175147598
N-hexyldecan-1-imine
CID 174719675
N-octylideneformamide
CID 57254317
(E)-undec-2-enenitrile
CID 6538104
N-dodecylideneformamide
CID 57101049

Frequently Asked Questions

What is the IUPAC name of octacosylidenecyanamide?
The IUPAC name of octacosylidenecyanamide (CID 21412222) is octacosylidenecyanamide.
What is the SMILES notation for octacosylidenecyanamide?
The canonical SMILES for octacosylidenecyanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCC/C=N/C#N.
What is the InChIKey of octacosylidenecyanamide?
The InChIKey is UKDXNAYJJXRDRS-CCFHIKDMSA-N. The full InChI is InChI=1S/C29H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29-30/h28H,2-27H2,1H3/b31-28+.
What are the key properties of octacosylidenecyanamide?
octacosylidenecyanamide has a molecular weight of 432.78 g/mol, XLogP of 10.70, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octacosylidenecyanamide is sourced from PubChem (CID 21412222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).