(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine

C15H23N — CID 166659852

IUPAC(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine
SMILES[H]/N=C(C)/C(=C\C(C)(C)/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C15H23N/c1-7-9-12(3)14(13(4)16)11-15(5,6)10-8-2/h7-11,16H,3H2,1-2,4-6H3/b9-7-,10-8-,14-11-,16-13+
InChIKeyKUMLVQROKHCXCK-GFAXBMOZSA-N
MW217.36 g/mol
LogP4.69
Rot. Bonds5

About (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine

(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine (PubChem CID 166659852) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine.

Molecular Properties

Compound Name(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine
PubChem CID166659852
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine
SMILES[H]/N=C(C)/C(=C\C(C)(C)/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C15H23N/c1-7-9-12(3)14(13(4)16)11-15(5,6)10-8-2/h7-11,16H,3H2,1-2,4-6H3/b9-7-,10-8-,14-11-,16-13+
InChIKeyKUMLVQROKHCXCK-GFAXBMOZSA-N
XLogP4.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine?
The IUPAC name of (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine (CID 166659852) is (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine.
What is the SMILES notation for (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine?
The canonical SMILES for (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine is [H]/N=C(C)/C(=C\C(C)(C)/C=C\C)C(=C)/C=C\C.
What is the InChIKey of (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine?
The InChIKey is KUMLVQROKHCXCK-GFAXBMOZSA-N. The full InChI is InChI=1S/C15H23N/c1-7-9-12(3)14(13(4)16)11-15(5,6)10-8-2/h7-11,16H,3H2,1-2,4-6H3/b9-7-,10-8-,14-11-,16-13+.
What are the key properties of (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine?
(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine has a molecular weight of 217.36 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine is sourced from PubChem (CID 166659852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).