6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide

C13H22N2O — CID 143096497

IUPAC6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
SMILESC=C/C=C(\C=C/C)NC(=O)CCCCCN
InChIInChI=1S/C13H22N2O/c1-3-8-12(9-4-2)15-13(16)10-6-5-7-11-14/h3-4,8-9H,1,5-7,10-11,14H2,2H3,(H,15,16)/b9-4-,12-8+
InChIKeyGEYOUMBSCUYISS-FIOFKEMQSA-N
MW222.33 g/mol
LogP2.27
Rot. Bonds8

About 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide

6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide (PubChem CID 143096497) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
PubChem CID143096497
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide
SMILESC=C/C=C(\C=C/C)NC(=O)CCCCCN
InChIInChI=1S/C13H22N2O/c1-3-8-12(9-4-2)15-13(16)10-6-5-7-11-14/h3-4,8-9H,1,5-7,10-11,14H2,2H3,(H,15,16)/b9-4-,12-8+
InChIKeyGEYOUMBSCUYISS-FIOFKEMQSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E,5E)-5,7-difluorohepta-1,3,5-trien-3-yl]-5-(methylamino)pentanamide
CID 89214855
1-[(2E,4E,6E)-2-fluoro-7-(methylamino)octa-2,4,6-trien-4-yl]azepan-2-one
CID 142246776
N-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
CID 59227297
5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
CID 89215079
5-amino-N-[(3E,5E)-6-bromohexa-1,3,5-trien-3-yl]pentanamide
CID 89256490
N-[(3E)-7-aminohepta-1,3-dien-3-yl]pentanamide
CID 89256491
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
4-amino-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 142136380
6-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]hexanamide
CID 143039958
6-amino-N-[(2Z,4E)-octa-2,4-dien-6-yn-4-yl]hexanamide;ethane
CID 143096492
N-[(3E,5Z)-3-aminohepta-1,3,5-trien-2-yl]heptanamide
CID 143808410
N-[(E)-but-2-en-2-yl]hexanamide
CID 144141551

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide?
The IUPAC name of 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide (CID 143096497) is 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide?
The canonical SMILES for 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide is C=C/C=C(\C=C/C)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide?
The InChIKey is GEYOUMBSCUYISS-FIOFKEMQSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-12(9-4-2)15-13(16)10-6-5-7-11-14/h3-4,8-9H,1,5-7,10-11,14H2,2H3,(H,15,16)/b9-4-,12-8+.
What are the key properties of 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide?
6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide has a molecular weight of 222.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]hexanamide is sourced from PubChem (CID 143096497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).