methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine

C16H37NO3 — CID 158558331

IUPACmethane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine
SMILESC.COCCC(=O)C(C)(C)C.COCCNC(C)(C)C
InChIInChI=1S/C8H16O2.C7H17NO.CH4/c1-8(2,3)7(9)5-6-10-4;1-7(2,3)8-5-6-9-4;/h5-6H2,1-4H3;8H,5-6H2,1-4H3;1H4
InChIKeyHQOLIOGNFFOOGV-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.30
Rot. Bonds6

About methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine

methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine (PubChem CID 158558331) has the molecular formula C16H37NO3 and a molecular weight of 291.48 g/mol. Its IUPAC name is methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Namemethane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine
PubChem CID158558331
Molecular FormulaC16H37NO3
Molecular Weight291.48 g/mol
Exact Mass291.28
IUPAC Namemethane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine
SMILESC.COCCC(=O)C(C)(C)C.COCCNC(C)(C)C
InChIInChI=1S/C8H16O2.C7H17NO.CH4/c1-8(2,3)7(9)5-6-10-4;1-7(2,3)8-5-6-9-4;/h5-6H2,1-4H3;8H,5-6H2,1-4H3;1H4
InChIKeyHQOLIOGNFFOOGV-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine?
The IUPAC name of methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine (CID 158558331) is methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine.
What is the SMILES notation for methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine?
The canonical SMILES for methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine is C.COCCC(=O)C(C)(C)C.COCCNC(C)(C)C.
What is the InChIKey of methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine?
The InChIKey is HQOLIOGNFFOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H17NO.CH4/c1-8(2,3)7(9)5-6-10-4;1-7(2,3)8-5-6-9-4;/h5-6H2,1-4H3;8H,5-6H2,1-4H3;1H4.
What are the key properties of methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine?
methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 158558331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).