[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate

C10H19NO2 — CID 129117712

IUPAC[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
SMILESCC(=O)O/N=C(/C(C)C)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)9(10(4,5)6)11-13-8(3)12/h7H,1-6H3/b11-9-
InChIKeyDPFDQTWVSRGHDL-LUAWRHEFSA-N
MW185.27 g/mol
LogP2.61
Rot. Bonds2

About [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate

[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate (PubChem CID 129117712) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
PubChem CID129117712
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
SMILESCC(=O)O/N=C(/C(C)C)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)9(10(4,5)6)11-13-8(3)12/h7H,1-6H3/b11-9-
InChIKeyDPFDQTWVSRGHDL-LUAWRHEFSA-N
XLogP2.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylpentan-3-ylideneamino) acetate
CID 129117701
[(E)-(4-methyl-3-oxopentan-2-ylidene)amino] acetate
CID 162411014
(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
CID 156683675
(4-methylpentan-2-ylideneamino) acetate
CID 59413828
[(2S)-1-acetyloxyimino-1-aminopropan-2-yl]-tert-butylcarbamic acid
CID 173067942
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
CID 162314144
CID 162314144
[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate
CID 55250781
(1-ethoxypropylideneamino) acetate
CID 157010726
[(E)-3-methylbutan-2-ylideneamino] carbamate
CID 143595167
ethyl acetate;2-methylpropanamide
CID 174848751
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate?
The IUPAC name of [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate (CID 129117712) is [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate.
What is the SMILES notation for [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate?
The canonical SMILES for [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate is CC(=O)O/N=C(/C(C)C)C(C)(C)C.
What is the InChIKey of [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate?
The InChIKey is DPFDQTWVSRGHDL-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9(10(4,5)6)11-13-8(3)12/h7H,1-6H3/b11-9-.
What are the key properties of [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate?
[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate has a molecular weight of 185.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate is sourced from PubChem (CID 129117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).