N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide

C14H28N2O — CID 6005441

IUPACN-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C(/C)C(C)C
InChIInChI=1S/C14H28N2O/c1-5-6-7-8-9-10-11-14(17)16-15-13(4)12(2)3/h12H,5-11H2,1-4H3,(H,16,17)/b15-13-
InChIKeyPRIBVDVBSAIHHW-SQFISAMPSA-N
MW240.39 g/mol
LogP3.89
Rot. Bonds9

About N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide

N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide (PubChem CID 6005441) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
PubChem CID6005441
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C(/C)C(C)C
InChIInChI=1S/C14H28N2O/c1-5-6-7-8-9-10-11-14(17)16-15-13(4)12(2)3/h12H,5-11H2,1-4H3,(H,16,17)/b15-13-
InChIKeyPRIBVDVBSAIHHW-SQFISAMPSA-N
XLogP3.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.89
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-(2,4-dimethylpentan-3-ylideneamino)undecanamide
CID 5187619
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N-(2-methylpropanoyl)heptanamide
CID 150179955
N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(but-2-enylideneamino)octanamide
CID 5180348
N-pentan-2-ylundecanamide
CID 173258559
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide?
The IUPAC name of N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide (CID 6005441) is N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide.
What is the SMILES notation for N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide?
The canonical SMILES for N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C(/C)C(C)C.
What is the InChIKey of N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide?
The InChIKey is PRIBVDVBSAIHHW-SQFISAMPSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-6-7-8-9-10-11-14(17)16-15-13(4)12(2)3/h12H,5-11H2,1-4H3,(H,16,17)/b15-13-.
What are the key properties of N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide?
N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide has a molecular weight of 240.39 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide is sourced from PubChem (CID 6005441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).