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

C13H24N2O — CID 130223869

IUPAC2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate
SMILES[H]/N=C(OCC(C)(C)C)\C(C)=N\C=C(\C)CC
InChIInChI=1S/C13H24N2O/c1-7-10(2)8-15-11(3)12(14)16-9-13(4,5)6/h8,14H,7,9H2,1-6H3/b10-8-,14-12+,15-11+
InChIKeyLPIYRDNICSBENY-IREQHOOVSA-N
MW224.35 g/mol
LogP3.80
Rot. Bonds4

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

2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate (PubChem CID 130223869) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate
PubChem CID130223869
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate
SMILES[H]/N=C(OCC(C)(C)C)\C(C)=N\C=C(\C)CC
InChIInChI=1S/C13H24N2O/c1-7-10(2)8-15-11(3)12(14)16-9-13(4,5)6/h8,14H,7,9H2,1-6H3/b10-8-,14-12+,15-11+
InChIKeyLPIYRDNICSBENY-IREQHOOVSA-N
XLogP3.80
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.80
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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Related Compounds

2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminoethanimidate
CID 130223935
N-(2-methylprop-1-enyl)-1-propoxybutan-2-imine
CID 134556291

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate?
The IUPAC name of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate (CID 130223869) is 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate.
What is the SMILES notation for 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate?
The canonical SMILES for 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate is [H]/N=C(OCC(C)(C)C)\C(C)=N\C=C(\C)CC.
What is the InChIKey of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate?
The InChIKey is LPIYRDNICSBENY-IREQHOOVSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-10(2)8-15-11(3)12(14)16-9-13(4,5)6/h8,14H,7,9H2,1-6H3/b10-8-,14-12+,15-11+.
What are the key properties of 2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate?
2,2-dimethylpropyl 2-[(Z)-2-methylbut-1-enyl]iminopropanimidate has a molecular weight of 224.35 g/mol, XLogP of 3.80, 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]iminopropanimidate is sourced from PubChem (CID 130223869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).