(4-methylpentan-2-ylideneamino) acetate

C8H15NO2 — CID 59413828

IUPAC(4-methylpentan-2-ylideneamino) acetate
SMILESCC(=O)ON=C(C)CC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)5-7(3)9-11-8(4)10/h6H,5H2,1-4H3
InChIKeyZECAUBXLZCTIPD-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.97
Rot. Bonds3

About (4-methylpentan-2-ylideneamino) acetate

(4-methylpentan-2-ylideneamino) acetate (PubChem CID 59413828) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4-methylpentan-2-ylideneamino) acetate.

Molecular Properties

Compound Name(4-methylpentan-2-ylideneamino) acetate
PubChem CID59413828
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4-methylpentan-2-ylideneamino) acetate
SMILESCC(=O)ON=C(C)CC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)5-7(3)9-11-8(4)10/h6H,5H2,1-4H3
InChIKeyZECAUBXLZCTIPD-UHFFFAOYSA-N
XLogP1.97
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.97
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-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
CID 99771064
[(E)-(4-methyl-3-oxopentan-2-ylidene)amino] acetate
CID 162411014
[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
CID 129117712
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
CID 162314144
CID 162314144
nitroso 3-methylbutanoate
CID 174302383
[(E)-[amino(iodo)methylidene]amino] 3-methylbutanoate
CID 142116413
3-methylbutanamide
CID 87933309
(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine
CID 11475053
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine
CID 58849462

Frequently Asked Questions

What is the IUPAC name of (4-methylpentan-2-ylideneamino) acetate?
The IUPAC name of (4-methylpentan-2-ylideneamino) acetate (CID 59413828) is (4-methylpentan-2-ylideneamino) acetate.
What is the SMILES notation for (4-methylpentan-2-ylideneamino) acetate?
The canonical SMILES for (4-methylpentan-2-ylideneamino) acetate is CC(=O)ON=C(C)CC(C)C.
What is the InChIKey of (4-methylpentan-2-ylideneamino) acetate?
The InChIKey is ZECAUBXLZCTIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-7(3)9-11-8(4)10/h6H,5H2,1-4H3.
What are the key properties of (4-methylpentan-2-ylideneamino) acetate?
(4-methylpentan-2-ylideneamino) acetate has a molecular weight of 157.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpentan-2-ylideneamino) acetate is sourced from PubChem (CID 59413828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).