N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide

C9H18N2O — CID 166970539

IUPACN-[(Z)-3-ethylpentan-2-ylideneamino]acetamide
SMILESCCC(CC)/C(C)=N\NC(C)=O
InChIInChI=1S/C9H18N2O/c1-5-9(6-2)7(3)10-11-8(4)12/h9H,5-6H2,1-4H3,(H,11,12)/b10-7-
InChIKeyRFXFVMDDHPBFIJ-YFHOEESVSA-N
MW170.26 g/mol
LogP1.93
Rot. Bonds4

About N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide

N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide (PubChem CID 166970539) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-ethylpentan-2-ylideneamino]acetamide
PubChem CID166970539
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(Z)-3-ethylpentan-2-ylideneamino]acetamide
SMILESCCC(CC)/C(C)=N\NC(C)=O
InChIInChI=1S/C9H18N2O/c1-5-9(6-2)7(3)10-11-8(4)12/h9H,5-6H2,1-4H3,(H,11,12)/b10-7-
InChIKeyRFXFVMDDHPBFIJ-YFHOEESVSA-N
XLogP1.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-2-ethylpentanoic acid
CID 172972827
diethyl 3-(acetylhydrazinylidene)pentanedioate
CID 3383221
acetohydrazide;butan-2-one;bis(N-[(Z)-butan-2-ylideneamino]acetamide)
CID 172928532
ethyl 3-(acetylhydrazinylidene)-3-aminopropanoate
CID 73177102
ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate
CID 7278066
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
3-[(hydroxyamino)methyl]pentan-2-one
CID 141217416
N-[[amino-(hydroxyamino)methylidene]amino]acetamide
CID 151292898
N-[(E)-(2-ethyl-4-methylpentylidene)amino]acetamide
CID 143400958
N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
(2R)-2-acetamidobutanethioic S-acid
CID 54504907
3-ethyl-6-methyloct-6-en-4-one
CID 173461598

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide?
The IUPAC name of N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide (CID 166970539) is N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide?
The canonical SMILES for N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide is CCC(CC)/C(C)=N\NC(C)=O.
What is the InChIKey of N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide?
The InChIKey is RFXFVMDDHPBFIJ-YFHOEESVSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-9(6-2)7(3)10-11-8(4)12/h9H,5-6H2,1-4H3,(H,11,12)/b10-7-.
What are the key properties of N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide?
N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide has a molecular weight of 170.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide is sourced from PubChem (CID 166970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).