6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide

C12H20N2O — CID 155443579

IUPAC6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide
SMILESC=C/C=C\C(=C)NCCCCCC(N)=O
InChIInChI=1S/C12H20N2O/c1-3-4-8-11(2)14-10-7-5-6-9-12(13)15/h3-4,8,14H,1-2,5-7,9-10H2,(H2,13,15)/b8-4-
InChIKeyOJNFTCLKPZIZAE-YWEYNIOJSA-N
MW208.31 g/mol
LogP1.88
Rot. Bonds9

About 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide

6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide (PubChem CID 155443579) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide.

Molecular Properties

Compound Name6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide
PubChem CID155443579
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide
SMILESC=C/C=C\C(=C)NCCCCCC(N)=O
InChIInChI=1S/C12H20N2O/c1-3-4-8-11(2)14-10-7-5-6-9-12(13)15/h3-4,8,14H,1-2,5-7,9-10H2,(H2,13,15)/b8-4-
InChIKeyOJNFTCLKPZIZAE-YWEYNIOJSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide?
The IUPAC name of 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide (CID 155443579) is 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide.
What is the SMILES notation for 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide?
The canonical SMILES for 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide is C=C/C=C\C(=C)NCCCCCC(N)=O.
What is the InChIKey of 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide?
The InChIKey is OJNFTCLKPZIZAE-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-8-11(2)14-10-7-5-6-9-12(13)15/h3-4,8,14H,1-2,5-7,9-10H2,(H2,13,15)/b8-4-.
What are the key properties of 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide?
6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide has a molecular weight of 208.31 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3Z)-hexa-1,3,5-trien-2-yl]amino]hexanamide is sourced from PubChem (CID 155443579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).