N-(hexylideneamino)acetamide

C8H16N2O — CID 72747477

IUPACN-(hexylideneamino)acetamide
SMILESCCCCCC=NNC(C)=O
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-7-9-10-8(2)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyOVWPAXZVHCHKSL-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.69
Rot. Bonds5

About N-(hexylideneamino)acetamide

N-(hexylideneamino)acetamide (PubChem CID 72747477) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(hexylideneamino)acetamide.

Molecular Properties

Compound NameN-(hexylideneamino)acetamide
PubChem CID72747477
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(hexylideneamino)acetamide
SMILESCCCCCC=NNC(C)=O
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-7-9-10-8(2)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyOVWPAXZVHCHKSL-UHFFFAOYSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-heptylideneamino]oxamide
CID 9628978
N-(ethylideneamino)acetamide
CID 57976624
Acetic acid isobutylidene-hydrazide
CID 519289
Pentanal methylformyl-hydrazone
CID 59751852
N-[(Z)-hexylideneamino]acetamide
CID 101620605
N-(butylideneamino)acetamide
CID 4121710
N-[(Z)-butylideneamino]acetamide
CID 6015140
Acetic acid, 2-(2-methylpropylidene)hydrazide
CID 9604622
N-[(E)-ethylideneamino]acetamide
CID 11400733
N-[(Z)-ethylideneamino]acetamide
CID 23619371
N-[(E)-propylideneamino]acetamide
CID 57884717
N-[(E)-3-aminopropylideneamino]propanamide
CID 58684194

Frequently Asked Questions

What is the IUPAC name of N-(hexylideneamino)acetamide?
The IUPAC name of N-(hexylideneamino)acetamide (CID 72747477) is N-(hexylideneamino)acetamide.
What is the SMILES notation for N-(hexylideneamino)acetamide?
The canonical SMILES for N-(hexylideneamino)acetamide is CCCCCC=NNC(C)=O.
What is the InChIKey of N-(hexylideneamino)acetamide?
The InChIKey is OVWPAXZVHCHKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-6-7-9-10-8(2)11/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(hexylideneamino)acetamide?
N-(hexylideneamino)acetamide has a molecular weight of 156.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexylideneamino)acetamide is sourced from PubChem (CID 72747477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).