N-octylideneformamide

C9H17NO — CID 57254317

IUPACN-octylideneformamide
SMILESCCCCCCC/C=N/C=O
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h8-9H,2-7H2,1H3/b10-8+
InChIKeyHTPAUXJZOIDQNH-CSKARUKUSA-N
MW155.24 g/mol
LogP2.57
Rot. Bonds7

About N-octylideneformamide

N-octylideneformamide (PubChem CID 57254317) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-octylideneformamide.

Molecular Properties

Compound NameN-octylideneformamide
PubChem CID57254317
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-octylideneformamide
SMILESCCCCCCC/C=N/C=O
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h8-9H,2-7H2,1H3/b10-8+
InChIKeyHTPAUXJZOIDQNH-CSKARUKUSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.57
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-dodecylideneformamide
CID 57101049
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-octylideneformamide?
The IUPAC name of N-octylideneformamide (CID 57254317) is N-octylideneformamide.
What is the SMILES notation for N-octylideneformamide?
The canonical SMILES for N-octylideneformamide is CCCCCCC/C=N/C=O.
What is the InChIKey of N-octylideneformamide?
The InChIKey is HTPAUXJZOIDQNH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h8-9H,2-7H2,1H3/b10-8+.
What are the key properties of N-octylideneformamide?
N-octylideneformamide has a molecular weight of 155.24 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylideneformamide is sourced from PubChem (CID 57254317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).