tert-butyl 2-(3,3-diethylpentylideneamino)acetate

C15H29NO2 — CID 59249243

IUPACtert-butyl 2-(3,3-diethylpentylideneamino)acetate
SMILESCCC(CC)(CC)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-15(8-2,9-3)10-11-16-12-13(17)18-14(4,5)6/h11H,7-10,12H2,1-6H3/b16-11+
InChIKeyHKSPICWHPHYUHQ-LFIBNONCSA-N
MW255.40 g/mol
LogP4.01
Rot. Bonds7

About tert-butyl 2-(3,3-diethylpentylideneamino)acetate

tert-butyl 2-(3,3-diethylpentylideneamino)acetate (PubChem CID 59249243) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 2-(3,3-diethylpentylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3,3-diethylpentylideneamino)acetate
PubChem CID59249243
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 2-(3,3-diethylpentylideneamino)acetate
SMILESCCC(CC)(CC)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-15(8-2,9-3)10-11-16-12-13(17)18-14(4,5)6/h11H,7-10,12H2,1-6H3/b16-11+
InChIKeyHKSPICWHPHYUHQ-LFIBNONCSA-N
XLogP4.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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 tert-butyl 2-(3,3-diethylpentylideneamino)acetate?
The IUPAC name of tert-butyl 2-(3,3-diethylpentylideneamino)acetate (CID 59249243) is tert-butyl 2-(3,3-diethylpentylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(3,3-diethylpentylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(3,3-diethylpentylideneamino)acetate is CCC(CC)(CC)C/C=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3,3-diethylpentylideneamino)acetate?
The InChIKey is HKSPICWHPHYUHQ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-15(8-2,9-3)10-11-16-12-13(17)18-14(4,5)6/h11H,7-10,12H2,1-6H3/b16-11+.
What are the key properties of tert-butyl 2-(3,3-diethylpentylideneamino)acetate?
tert-butyl 2-(3,3-diethylpentylideneamino)acetate has a molecular weight of 255.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,3-diethylpentylideneamino)acetate is sourced from PubChem (CID 59249243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).