N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide

C14H18N2 — CID 134444275

IUPACN'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
SMILESC=C/C=C\C(=CC)C(=C/C=C)/N=C(/N)C=C
InChIInChI=1S/C14H18N2/c1-5-9-11-12(7-3)13(10-6-2)16-14(15)8-4/h5-11H,1-2,4H2,3H3,(H2,15,16)/b11-9-,12-7+,13-10-
InChIKeyJBHNQWUSUGYLDT-DICZYSAYSA-N
MW214.31 g/mol
LogP3.29
Rot. Bonds6

About N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide

N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide (PubChem CID 134444275) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
PubChem CID134444275
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
SMILESC=C/C=C\C(=CC)C(=C/C=C)/N=C(/N)C=C
InChIInChI=1S/C14H18N2/c1-5-9-11-12(7-3)13(10-6-2)16-14(15)8-4/h5-11H,1-2,4H2,3H3,(H2,15,16)/b11-9-,12-7+,13-10-
InChIKeyJBHNQWUSUGYLDT-DICZYSAYSA-N
XLogP3.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide?
The IUPAC name of N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide (CID 134444275) is N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide.
What is the SMILES notation for N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide?
The canonical SMILES for N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide is C=C/C=C\C(=CC)C(=C/C=C)/N=C(/N)C=C.
What is the InChIKey of N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide?
The InChIKey is JBHNQWUSUGYLDT-DICZYSAYSA-N. The full InChI is InChI=1S/C14H18N2/c1-5-9-11-12(7-3)13(10-6-2)16-14(15)8-4/h5-11H,1-2,4H2,3H3,(H2,15,16)/b11-9-,12-7+,13-10-.
What are the key properties of N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide?
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide has a molecular weight of 214.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide is sourced from PubChem (CID 134444275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).