6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide

C13H23N3O — CID 143039958

IUPAC6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide
SMILESC=N/C(=C\C=C/C)CNCCCCCC(N)=O
InChIInChI=1S/C13H23N3O/c1-3-4-8-12(15-2)11-16-10-7-5-6-9-13(14)17/h3-4,8,16H,2,5-7,9-11H2,1H3,(H2,14,17)/b4-3-,12-8-
InChIKeyNGNALRNZPBQBIY-QISPATLQSA-N
MW237.35 g/mol
LogP1.78
Rot. Bonds10

About 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide

6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide (PubChem CID 143039958) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide.

Molecular Properties

Compound Name6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide
PubChem CID143039958
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide
SMILESC=N/C(=C\C=C/C)CNCCCCCC(N)=O
InChIInChI=1S/C13H23N3O/c1-3-4-8-12(15-2)11-16-10-7-5-6-9-13(14)17/h3-4,8,16H,2,5-7,9-11H2,1H3,(H2,14,17)/b4-3-,12-8-
InChIKeyNGNALRNZPBQBIY-QISPATLQSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
CID 143096497
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen
CID 144540766
6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide
CID 155443579
6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide
CID 143096493
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide
CID 144540767
N-[(3Z)-5-(methylamino)hexa-1,3,5-trien-2-yl]heptanamide
CID 156841487
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide
CID 178083111

Frequently Asked Questions

What is the IUPAC name of 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide?
The IUPAC name of 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide (CID 143039958) is 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide.
What is the SMILES notation for 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide?
The canonical SMILES for 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide is C=N/C(=C\C=C/C)CNCCCCCC(N)=O.
What is the InChIKey of 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide?
The InChIKey is NGNALRNZPBQBIY-QISPATLQSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-8-12(15-2)11-16-10-7-5-6-9-13(14)17/h3-4,8,16H,2,5-7,9-11H2,1H3,(H2,14,17)/b4-3-,12-8-.
What are the key properties of 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide?
6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide has a molecular weight of 237.35 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide is sourced from PubChem (CID 143039958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).