N-(cyclohexylmethylideneamino)dodecanamide

C19H36N2O — CID 5072532

IUPACN-(cyclohexylmethylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=CC1CCCCC1
InChIInChI=1S/C19H36N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h17-18H,2-16H2,1H3,(H,21,22)
InChIKeyCGBYEDNIBFLNRR-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.59
Rot. Bonds12

About N-(cyclohexylmethylideneamino)dodecanamide

N-(cyclohexylmethylideneamino)dodecanamide (PubChem CID 5072532) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is N-(cyclohexylmethylideneamino)dodecanamide.

Molecular Properties

Compound NameN-(cyclohexylmethylideneamino)dodecanamide
PubChem CID5072532
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC NameN-(cyclohexylmethylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=CC1CCCCC1
InChIInChI=1S/C19H36N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h17-18H,2-16H2,1H3,(H,21,22)
InChIKeyCGBYEDNIBFLNRR-UHFFFAOYSA-N
XLogP5.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.59
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,N'-bis[(E)-2-ethylbutylideneamino]hexanediamide
CID 9624912
N'-(4-Methylcyclohexylidene)decanohydrazide
CID 4281495
N-[(E)-2-methylpropylideneamino]cyclohexanecarboxamide
CID 9622146
(4aS,8aR)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 15183279
N-[(E)-2-methylpropylideneamino]cyclopentanecarboxamide
CID 133631575
N,N'-bis(2-ethylbutylideneamino)hexanediamide
CID 3538485
N'-[(1Z)-3-methylbutylidene]dodecanehydrazide
CID 5851038
Octadecanoic butylidenehydrazide
CID 9554913
N'~1~,N'~10~-bis[(E)-2-methylpropylidene]decanedihydrazide
CID 9554922
N'-[(E)-cyclohexylmethylidene]dodecanehydrazide
CID 9606365
N'-[(1E)-2-ethylhexylidene]dodecanehydrazide
CID 9608750
N'-[(1E)-pentylidene]dodecanehydrazide
CID 9632763

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethylideneamino)dodecanamide?
The IUPAC name of N-(cyclohexylmethylideneamino)dodecanamide (CID 5072532) is N-(cyclohexylmethylideneamino)dodecanamide.
What is the SMILES notation for N-(cyclohexylmethylideneamino)dodecanamide?
The canonical SMILES for N-(cyclohexylmethylideneamino)dodecanamide is CCCCCCCCCCCC(=O)NN=CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethylideneamino)dodecanamide?
The InChIKey is CGBYEDNIBFLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h17-18H,2-16H2,1H3,(H,21,22).
What are the key properties of N-(cyclohexylmethylideneamino)dodecanamide?
N-(cyclohexylmethylideneamino)dodecanamide has a molecular weight of 308.51 g/mol, XLogP of 5.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethylideneamino)dodecanamide is sourced from PubChem (CID 5072532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).