[1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate

C15H29NO2 — CID 174748526

IUPAC[1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate
SMILESCCC(CC)(CC)C/C=N/CC(C)(C)OC(C)=O
InChIInChI=1S/C15H29NO2/c1-7-15(8-2,9-3)10-11-16-12-14(5,6)18-13(4)17/h11H,7-10,12H2,1-6H3/b16-11+
InChIKeyUGEZHIBPAMTQEO-LFIBNONCSA-N
MW255.40 g/mol
LogP4.01
Rot. Bonds8

About [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate

[1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate (PubChem CID 174748526) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate
PubChem CID174748526
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate
SMILESCCC(CC)(CC)C/C=N/CC(C)(C)OC(C)=O
InChIInChI=1S/C15H29NO2/c1-7-15(8-2,9-3)10-11-16-12-14(5,6)18-13(4)17/h11H,7-10,12H2,1-6H3/b16-11+
InChIKeyUGEZHIBPAMTQEO-LFIBNONCSA-N
XLogP4.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate (CID 174748526) is [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate is CCC(CC)(CC)C/C=N/CC(C)(C)OC(C)=O.
What is the InChIKey of [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate?
The InChIKey is UGEZHIBPAMTQEO-LFIBNONCSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-15(8-2,9-3)10-11-16-12-14(5,6)18-13(4)17/h11H,7-10,12H2,1-6H3/b16-11+.
What are the key properties of [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate?
[1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate has a molecular weight of 255.40 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-diethylpentylideneamino)-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 174748526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).