N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine

C14H17N — CID 134195862

IUPACN-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine
SMILESC=CC(C=C)=N/C(C=C)=C/C=C(/C)C=C
InChIInChI=1S/C14H17N/c1-6-12(5)10-11-14(9-4)15-13(7-2)8-3/h6-11H,1-4H2,5H3/b12-10-,14-11+
InChIKeyWLDUSECQYZXVDJ-NNIWUBQSSA-N
MW199.30 g/mol
LogP4.00
Rot. Bonds6

About N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine

N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine (PubChem CID 134195862) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine.

Molecular Properties

Compound NameN-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine
PubChem CID134195862
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine
SMILESC=CC(C=C)=N/C(C=C)=C/C=C(/C)C=C
InChIInChI=1S/C14H17N/c1-6-12(5)10-11-14(9-4)15-13(7-2)8-3/h6-11H,1-4H2,5H3/b12-10-,14-11+
InChIKeyWLDUSECQYZXVDJ-NNIWUBQSSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine?
The IUPAC name of N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine (CID 134195862) is N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine.
What is the SMILES notation for N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine?
The canonical SMILES for N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine is C=CC(C=C)=N/C(C=C)=C/C=C(/C)C=C.
What is the InChIKey of N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine?
The InChIKey is WLDUSECQYZXVDJ-NNIWUBQSSA-N. The full InChI is InChI=1S/C14H17N/c1-6-12(5)10-11-14(9-4)15-13(7-2)8-3/h6-11H,1-4H2,5H3/b12-10-,14-11+.
What are the key properties of N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine?
N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine has a molecular weight of 199.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine is sourced from PubChem (CID 134195862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).