6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide

C13H25N3O2 — CID 156522659

IUPAC6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide
SMILESCNCCCCCC(=O)N/N=C(\C)CCC(C)=O
InChIInChI=1S/C13H25N3O2/c1-11(8-9-12(2)17)15-16-13(18)7-5-4-6-10-14-3/h14H,4-10H2,1-3H3,(H,16,18)/b15-11+
InChIKeyCUYXUTMYNMHFOS-RVDMUPIBSA-N
MW255.36 g/mol
LogP1.63
Rot. Bonds10

About 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide

6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide (PubChem CID 156522659) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide.

Molecular Properties

Compound Name6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide
PubChem CID156522659
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide
SMILESCNCCCCCC(=O)N/N=C(\C)CCC(C)=O
InChIInChI=1S/C13H25N3O2/c1-11(8-9-12(2)17)15-16-13(18)7-5-4-6-10-14-3/h14H,4-10H2,1-3H3,(H,16,18)/b15-11+
InChIKeyCUYXUTMYNMHFOS-RVDMUPIBSA-N
XLogP1.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

13-(methylamino)tridecan-2-one
CID 23382037
ethane;7-(methylamino)heptan-2-one
CID 176694896
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
N-methyl-11-(methylamino)undecanamide
CID 59809097
7-(methylamino)heptan-2-one;1-(methylamino)propan-2-one;tetradecane-2,13-dione
CID 123967487
CID 171563781
CID 171563781
4-hydroxy-N-[(E)-6-oxoheptan-2-ylideneamino]pentanamide
CID 146480225

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide?
The IUPAC name of 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide (CID 156522659) is 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide.
What is the SMILES notation for 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide?
The canonical SMILES for 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide is CNCCCCCC(=O)N/N=C(\C)CCC(C)=O.
What is the InChIKey of 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide?
The InChIKey is CUYXUTMYNMHFOS-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(8-9-12(2)17)15-16-13(18)7-5-4-6-10-14-3/h14H,4-10H2,1-3H3,(H,16,18)/b15-11+.
What are the key properties of 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide?
6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide has a molecular weight of 255.36 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[(E)-5-oxohexan-2-ylideneamino]hexanamide is sourced from PubChem (CID 156522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).