N-hexylideneformamide

C7H13NO — CID 57282348

IUPACN-hexylideneformamide
SMILESCCCCC/C=N/C=O
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h6-7H,2-5H2,1H3/b8-6+
InChIKeyHJDPTKGVVFIVEU-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.79
Rot. Bonds5

About N-hexylideneformamide

N-hexylideneformamide (PubChem CID 57282348) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-hexylideneformamide.

Molecular Properties

Compound NameN-hexylideneformamide
PubChem CID57282348
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-hexylideneformamide
SMILESCCCCC/C=N/C=O
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h6-7H,2-5H2,1H3/b8-6+
InChIKeyHJDPTKGVVFIVEU-SOFGYWHQSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.79
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'}

Analyze N-hexylideneformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexylideneformamide?
The IUPAC name of N-hexylideneformamide (CID 57282348) is N-hexylideneformamide.
What is the SMILES notation for N-hexylideneformamide?
The canonical SMILES for N-hexylideneformamide is CCCCC/C=N/C=O.
What is the InChIKey of N-hexylideneformamide?
The InChIKey is HJDPTKGVVFIVEU-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h6-7H,2-5H2,1H3/b8-6+.
What are the key properties of N-hexylideneformamide?
N-hexylideneformamide has a molecular weight of 127.19 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylideneformamide is sourced from PubChem (CID 57282348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).