N,N'-bis(cyclohexylideneamino)hexanediamide

C18H30N4O2 — CID 534701

IUPACN,N'-bis(cyclohexylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C18H30N4O2/c23-17(21-19-15-9-3-1-4-10-15)13-7-8-14-18(24)22-20-16-11-5-2-6-12-16/h1-14H2,(H,21,23)(H,22,24)
InChIKeyMBHOTLVGYHLMIQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.42
Rot. Bonds7

About N,N'-bis(cyclohexylideneamino)hexanediamide

N,N'-bis(cyclohexylideneamino)hexanediamide (PubChem CID 534701) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,N'-bis(cyclohexylideneamino)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclohexylideneamino)hexanediamide
PubChem CID534701
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN,N'-bis(cyclohexylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C18H30N4O2/c23-17(21-19-15-9-3-1-4-10-15)13-7-8-14-18(24)22-20-16-11-5-2-6-12-16/h1-14H2,(H,21,23)(H,22,24)
InChIKeyMBHOTLVGYHLMIQ-UHFFFAOYSA-N
XLogP3.42
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.42
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

N-(isopropylideneamino)-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 487264
N'~1~,N'~7~-dicyclohexylideneheptanedihydrazide
CID 4048049
N-[(E)-butan-2-ylideneamino]-N'-[(Z)-butan-2-ylideneamino]hexanediamide
CID 47005913
N,N'-bis(propan-2-ylideneamino)hexanediamide
CID 3536309
N,N'-bis(pentan-3-ylideneamino)hexanediamide
CID 4047156
N'~1~,N'~4~-dicyclohexylidenesuccinohydrazide
CID 4300425
N,N'-bis(butan-2-ylideneamino)hexanediamide
CID 4572070
N-(cyclohexylideneamino)heptanamide
CID 4657934
N'(1),N'(10)-Dicyclohexylidenedecanedihydrazide
CID 4677829
N'~1~,N'~6~-dicyclopentylidenehexanedihydrazide
CID 5071973
N-((1Z)-2-methyl-1-azabut-1-enyl)-N'-((1Z)-2-methyl-1-azabut-1-enyl)hexane-1,6-diamide
CID 6153372
N,N'-bis[(E)-butan-2-ylideneamino]hexanediamide
CID 9677262

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(cyclohexylideneamino)hexanediamide?
The IUPAC name of N,N'-bis(cyclohexylideneamino)hexanediamide (CID 534701) is N,N'-bis(cyclohexylideneamino)hexanediamide.
What is the SMILES notation for N,N'-bis(cyclohexylideneamino)hexanediamide?
The canonical SMILES for N,N'-bis(cyclohexylideneamino)hexanediamide is O=C(CCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1.
What is the InChIKey of N,N'-bis(cyclohexylideneamino)hexanediamide?
The InChIKey is MBHOTLVGYHLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-17(21-19-15-9-3-1-4-10-15)13-7-8-14-18(24)22-20-16-11-5-2-6-12-16/h1-14H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(cyclohexylideneamino)hexanediamide?
N,N'-bis(cyclohexylideneamino)hexanediamide has a molecular weight of 334.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclohexylideneamino)hexanediamide is sourced from PubChem (CID 534701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).