tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane

C15H35NO — CID 164563435

IUPACtert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane
SMILESC/C(=N\C(C)C)OC(C)(C)C.CC.CC(C)C
InChIInChI=1S/C9H19NO.C4H10.C2H6/c1-7(2)10-8(3)11-9(4,5)6;1-4(2)3;1-2/h7H,1-6H3;4H,1-3H3;1-2H3/b10-8+;;
InChIKeyVIKZJNHCRPGPKL-PIHABLKOSA-N
MW245.45 g/mol
LogP5.32
Rot. Bonds1

About tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane

tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane (PubChem CID 164563435) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane.

Molecular Properties

Compound Nametert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane
PubChem CID164563435
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Nametert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane
SMILESC/C(=N\C(C)C)OC(C)(C)C.CC.CC(C)C
InChIInChI=1S/C9H19NO.C4H10.C2H6/c1-7(2)10-8(3)11-9(4,5)6;1-4(2)3;1-2/h7H,1-6H3;4H,1-3H3;1-2H3/b10-8+;;
InChIKeyVIKZJNHCRPGPKL-PIHABLKOSA-N
XLogP5.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methylethanehydrazonate
CID 159503466
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
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2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
3-chloro-3-methyl-N-propan-2-ylbutan-2-imine
CID 12696210
cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
CID 90330755
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
tert-butyl acetate
CID 159704758
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
CID 66337083
acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 88525633
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
CID 88706871
tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
CID 158470992

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane?
The IUPAC name of tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane (CID 164563435) is tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane.
What is the SMILES notation for tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane?
The canonical SMILES for tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane is C/C(=N\C(C)C)OC(C)(C)C.CC.CC(C)C.
What is the InChIKey of tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane?
The InChIKey is VIKZJNHCRPGPKL-PIHABLKOSA-N. The full InChI is InChI=1S/C9H19NO.C4H10.C2H6/c1-7(2)10-8(3)11-9(4,5)6;1-4(2)3;1-2/h7H,1-6H3;4H,1-3H3;1-2H3/b10-8+;;.
What are the key properties of tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane?
tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane has a molecular weight of 245.45 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-ylethanimidate;ethane;2-methylpropane is sourced from PubChem (CID 164563435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).