N-[(3-methylcyclohexylidene)amino]hexanamide

C13H24N2O — CID 3593486

IUPACN-[(3-methylcyclohexylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCCC(C)C1
InChIInChI=1S/C13H24N2O/c1-3-4-5-9-13(16)15-14-12-8-6-7-11(2)10-12/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyDVDQANWUVJKJBN-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.25
Rot. Bonds5

About N-[(3-methylcyclohexylidene)amino]hexanamide

N-[(3-methylcyclohexylidene)amino]hexanamide (PubChem CID 3593486) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(3-methylcyclohexylidene)amino]hexanamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexylidene)amino]hexanamide
PubChem CID3593486
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(3-methylcyclohexylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCCC(C)C1
InChIInChI=1S/C13H24N2O/c1-3-4-5-9-13(16)15-14-12-8-6-7-11(2)10-12/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyDVDQANWUVJKJBN-UHFFFAOYSA-N
XLogP3.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(cyclododecylideneamino)dodecanamide
CID 4575376
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
N-(cycloheptylideneamino)pentanamide
CID 3533607
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
N-[(4-propylcyclohexylidene)amino]undecanamide
CID 4226269
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
CID 6530772
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
N,N'-bis(cyclohexylideneamino)heptanediamide
CID 4048049
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]butanediamide
CID 5427907
[(Z)-(3-methylcyclooctylidene)amino]urea
CID 90482071

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexylidene)amino]hexanamide?
The IUPAC name of N-[(3-methylcyclohexylidene)amino]hexanamide (CID 3593486) is N-[(3-methylcyclohexylidene)amino]hexanamide.
What is the SMILES notation for N-[(3-methylcyclohexylidene)amino]hexanamide?
The canonical SMILES for N-[(3-methylcyclohexylidene)amino]hexanamide is CCCCCC(=O)NN=C1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexylidene)amino]hexanamide?
The InChIKey is DVDQANWUVJKJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-4-5-9-13(16)15-14-12-8-6-7-11(2)10-12/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-methylcyclohexylidene)amino]hexanamide?
N-[(3-methylcyclohexylidene)amino]hexanamide has a molecular weight of 224.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexylidene)amino]hexanamide is sourced from PubChem (CID 3593486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).