N-dodecylideneformamide

C13H25NO — CID 57101049

IUPACN-dodecylideneformamide
SMILESCCCCCCCCCCC/C=N/C=O
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h12-13H,2-11H2,1H3/b14-12+
InChIKeyIFHYSUVGFRVDLA-WYMLVPIESA-N
MW211.35 g/mol
LogP4.13
Rot. Bonds11

About N-dodecylideneformamide

N-dodecylideneformamide (PubChem CID 57101049) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-dodecylideneformamide.

Molecular Properties

Compound NameN-dodecylideneformamide
PubChem CID57101049
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-dodecylideneformamide
SMILESCCCCCCCCCCC/C=N/C=O
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h12-13H,2-11H2,1H3/b14-12+
InChIKeyIFHYSUVGFRVDLA-WYMLVPIESA-N
XLogP4.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-octylideneformamide
CID 57254317
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-methyloctadecan-1-imine
CID 54409483
decanal;decane
CID 157361056
(NE)-N-octylidenehydroxylamine
CID 5385260
tetrakis(rhodium);tridecanal
CID 173078093
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
azane;octadecanal
CID 87079794
ruthenium;tridecanal
CID 175429355
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034

Frequently Asked Questions

What is the IUPAC name of N-dodecylideneformamide?
The IUPAC name of N-dodecylideneformamide (CID 57101049) is N-dodecylideneformamide.
What is the SMILES notation for N-dodecylideneformamide?
The canonical SMILES for N-dodecylideneformamide is CCCCCCCCCCC/C=N/C=O.
What is the InChIKey of N-dodecylideneformamide?
The InChIKey is IFHYSUVGFRVDLA-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h12-13H,2-11H2,1H3/b14-12+.
What are the key properties of N-dodecylideneformamide?
N-dodecylideneformamide has a molecular weight of 211.35 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylideneformamide is sourced from PubChem (CID 57101049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).