N-(butylideneamino)heptanamide

C11H22N2O — CID 4641242

IUPACN-(butylideneamino)heptanamide
SMILESCCCC=NNC(=O)CCCCCC
InChIInChI=1S/C11H22N2O/c1-3-5-7-8-9-11(14)13-12-10-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyVISWQWRNUNEQNA-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.86
Rot. Bonds8

About N-(butylideneamino)heptanamide

N-(butylideneamino)heptanamide (PubChem CID 4641242) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(butylideneamino)heptanamide.

Molecular Properties

Compound NameN-(butylideneamino)heptanamide
PubChem CID4641242
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(butylideneamino)heptanamide
SMILESCCCC=NNC(=O)CCCCCC
InChIInChI=1S/C11H22N2O/c1-3-5-7-8-9-11(14)13-12-10-6-4-2/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyVISWQWRNUNEQNA-UHFFFAOYSA-N
XLogP2.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.86
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(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
CID 139847717
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N-(but-2-enylideneamino)octanamide
CID 5180348
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-(2-phenylethylideneamino)nonanamide
CID 3280851
N-[(Z)-butylideneamino]acetamide
CID 6015140
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457

Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)heptanamide?
The IUPAC name of N-(butylideneamino)heptanamide (CID 4641242) is N-(butylideneamino)heptanamide.
What is the SMILES notation for N-(butylideneamino)heptanamide?
The canonical SMILES for N-(butylideneamino)heptanamide is CCCC=NNC(=O)CCCCCC.
What is the InChIKey of N-(butylideneamino)heptanamide?
The InChIKey is VISWQWRNUNEQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-7-8-9-11(14)13-12-10-6-4-2/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(butylideneamino)heptanamide?
N-(butylideneamino)heptanamide has a molecular weight of 198.31 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)heptanamide is sourced from PubChem (CID 4641242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).