N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine

C29H64N4O4 — CID 172983531

IUPACN-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine
SMILESC/C=N/C(C)(C)C.C/C=N/NC(C)(C)C.C/C=N/OC(C)(C)C.COC(=O)C(C)(C)C.COC(C)(C)C
InChIInChI=1S/C6H14N2.C6H13NO.C6H13N.C6H12O2.C5H12O/c2*1-5-7-8-6(2,3)4;1-5-7-6(2,3)4;1-6(2,3)5(7)8-4;1-5(2,3)6-4/h5,8H,1-4H3;5H,1-4H3;5H,1-4H3;1-4H3;1-4H3/b3*7-5+;;
InChIKeyBFPVNOJIKBQSGO-MLYOGJAMSA-N
MW532.86 g/mol
LogP7.70
Rot. Bonds2

About N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine

N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine (PubChem CID 172983531) has the molecular formula C29H64N4O4 and a molecular weight of 532.86 g/mol. Its IUPAC name is N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine.

Molecular Properties

Compound NameN-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine
PubChem CID172983531
Molecular FormulaC29H64N4O4
Molecular Weight532.86 g/mol
Exact Mass532.49
IUPAC NameN-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine
SMILESC/C=N/C(C)(C)C.C/C=N/NC(C)(C)C.C/C=N/OC(C)(C)C.COC(=O)C(C)(C)C.COC(C)(C)C
InChIInChI=1S/C6H14N2.C6H13NO.C6H13N.C6H12O2.C5H12O/c2*1-5-7-8-6(2,3)4;1-5-7-6(2,3)4;1-6(2,3)5(7)8-4;1-5(2,3)6-4/h5,8H,1-4H3;5H,1-4H3;5H,1-4H3;1-4H3;1-4H3/b3*7-5+;;
InChIKeyBFPVNOJIKBQSGO-MLYOGJAMSA-N
XLogP7.70
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.86
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine with MolForge

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Related Compounds

[(E)-ethylideneamino] 2,2-dimethylpropanoate
CID 166590786
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
N-[(Z)-ethylideneamino]-2,2-dimethylpropanamide
CID 130468433
(1Z)-1-(tert-butylhydrazinylidene)propan-2-one
CID 129373313
1-tert-butylimino-3,3-dimethylbutan-2-one
CID 86729170
methyl 2-methoxy-2-methylpent-3-enoate
CID 151422479
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
2-methoxy-2-methylpropane;hydrate
CID 23212559
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
CID 161359364
methyl 2-acetyl-2-hydroxy-3-oxobutanoate
CID 59771908
2-[(E)-ethylideneamino]propan-2-ol
CID 90396206

Frequently Asked Questions

What is the IUPAC name of N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine?
The IUPAC name of N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine (CID 172983531) is N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine.
What is the SMILES notation for N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine?
The canonical SMILES for N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine is C/C=N/C(C)(C)C.C/C=N/NC(C)(C)C.C/C=N/OC(C)(C)C.COC(=O)C(C)(C)C.COC(C)(C)C.
What is the InChIKey of N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine?
The InChIKey is BFPVNOJIKBQSGO-MLYOGJAMSA-N. The full InChI is InChI=1S/C6H14N2.C6H13NO.C6H13N.C6H12O2.C5H12O/c2*1-5-7-8-6(2,3)4;1-5-7-6(2,3)4;1-6(2,3)5(7)8-4;1-5(2,3)6-4/h5,8H,1-4H3;5H,1-4H3;5H,1-4H3;1-4H3;1-4H3/b3*7-5+;;.
What are the key properties of N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine?
N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine has a molecular weight of 532.86 g/mol, XLogP of 7.70, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine is sourced from PubChem (CID 172983531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).