propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate

C13H23NO — CID 130224379

IUPACpropan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate
SMILES[H]/N=C(\C=C/C=C(/C)CC(C)C)OC(C)C
InChIInChI=1S/C13H23NO/c1-10(2)9-12(5)7-6-8-13(14)15-11(3)4/h6-8,10-11,14H,9H2,1-5H3/b8-6-,12-7-,14-13+
InChIKeyTZDGAEGGQJXWDD-BWIAKPBESA-N
MW209.33 g/mol
LogP3.94
Rot. Bonds5

About propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate

propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate (PubChem CID 130224379) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate.

Molecular Properties

Compound Namepropan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate
PubChem CID130224379
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namepropan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate
SMILES[H]/N=C(\C=C/C=C(/C)CC(C)C)OC(C)C
InChIInChI=1S/C13H23NO/c1-10(2)9-12(5)7-6-8-13(14)15-11(3)4/h6-8,10-11,14H,9H2,1-5H3/b8-6-,12-7-,14-13+
InChIKeyTZDGAEGGQJXWDD-BWIAKPBESA-N
XLogP3.94
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123970131
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
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(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene
CID 88961780
(Z)-6-methylhept-2-en-4-imine
CID 91390862
(E)-1-iodo-2,4-dimethylpent-1-ene
CID 58173205
2,8,12-trimethyltrideca-5,7,11-trien-4-one
CID 54329025
(Z)-but-2-enedioic acid;propan-2-yl 3-methylbutanoate
CID 175001165
1-chloro-4,6-dimethylhept-3-ene
CID 79603963
(E)-3,5-dimethylhex-2-en-1-ol
CID 13415310
3-imino-5-methyl-1-oxo-1-propan-2-yloxyhexane-2-sulfinate
CID 56992153
8,10-dimethyltetradeca-5,7-dien-11-yn-3-imine
CID 123325411

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate?
The IUPAC name of propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate (CID 130224379) is propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate.
What is the SMILES notation for propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate?
The canonical SMILES for propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate is [H]/N=C(\C=C/C=C(/C)CC(C)C)OC(C)C.
What is the InChIKey of propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate?
The InChIKey is TZDGAEGGQJXWDD-BWIAKPBESA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)9-12(5)7-6-8-13(14)15-11(3)4/h6-8,10-11,14H,9H2,1-5H3/b8-6-,12-7-,14-13+.
What are the key properties of propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate?
propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate has a molecular weight of 209.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2Z,4Z)-5,7-dimethylocta-2,4-dienimidate is sourced from PubChem (CID 130224379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).