2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate

C12H22N2O — CID 130223935

IUPAC2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate
SMILES[H]/N=C(\C=N\C=C(\C)CC)OCC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-6-10(2)7-14-8-11(13)15-9-12(3,4)5/h7-8,13H,6,9H2,1-5H3/b10-7-,13-11+,14-8+
InChIKeyNRBSBTVYJFKEIR-XDIYIVJCSA-N
MW210.32 g/mol
LogP3.41
Rot. Bonds4

About 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate

2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate (PubChem CID 130223935) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate
PubChem CID130223935
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate
SMILES[H]/N=C(\C=N\C=C(\C)CC)OCC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-6-10(2)7-14-8-11(13)15-9-12(3,4)5/h7-8,13H,6,9H2,1-5H3/b10-7-,13-11+,14-8+
InChIKeyNRBSBTVYJFKEIR-XDIYIVJCSA-N
XLogP3.41
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate?
The IUPAC name of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate (CID 130223935) is 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate.
What is the SMILES notation for 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate?
The canonical SMILES for 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate is [H]/N=C(\C=N\C=C(\C)CC)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate?
The InChIKey is NRBSBTVYJFKEIR-XDIYIVJCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-10(2)7-14-8-11(13)15-9-12(3,4)5/h7-8,13H,6,9H2,1-5H3/b10-7-,13-11+,14-8+.
What are the key properties of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate?
2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate has a molecular weight of 210.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate is sourced from PubChem (CID 130223935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).