[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate

C14H23NO — CID 135196032

IUPAC[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate
SMILESC=C(C)C/C(=N\C)OC(C)/C=C\C(C)=C/C
InChIInChI=1S/C14H23NO/c1-7-12(4)8-9-13(5)16-14(15-6)10-11(2)3/h7-9,13H,2,10H2,1,3-6H3/b9-8-,12-7-,15-14+
InChIKeyLLSCIVVUGFHBEE-AZJNWMNPSA-N
MW221.34 g/mol
LogP3.91
Rot. Bonds5

About [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate

[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate (PubChem CID 135196032) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate.

Molecular Properties

Compound Name[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate
PubChem CID135196032
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate
SMILESC=C(C)C/C(=N\C)OC(C)/C=C\C(C)=C/C
InChIInChI=1S/C14H23NO/c1-7-12(4)8-9-13(5)16-14(15-6)10-11(2)3/h7-9,13H,2,10H2,1,3-6H3/b9-8-,12-7-,15-14+
InChIKeyLLSCIVVUGFHBEE-AZJNWMNPSA-N
XLogP3.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.91
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate?
The IUPAC name of [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate (CID 135196032) is [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate.
What is the SMILES notation for [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate?
The canonical SMILES for [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate is C=C(C)C/C(=N\C)OC(C)/C=C\C(C)=C/C.
What is the InChIKey of [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate?
The InChIKey is LLSCIVVUGFHBEE-AZJNWMNPSA-N. The full InChI is InChI=1S/C14H23NO/c1-7-12(4)8-9-13(5)16-14(15-6)10-11(2)3/h7-9,13H,2,10H2,1,3-6H3/b9-8-,12-7-,15-14+.
What are the key properties of [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate?
[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate has a molecular weight of 221.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate is sourced from PubChem (CID 135196032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).