N,N'-bis(cyclohexylideneamino)butanediamide

C16H26N4O2 — CID 4300425

IUPACN,N'-bis(cyclohexylideneamino)butanediamide
SMILESO=C(CCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C16H26N4O2/c21-15(19-17-13-7-3-1-4-8-13)11-12-16(22)20-18-14-9-5-2-6-10-14/h1-12H2,(H,19,21)(H,20,22)
InChIKeyYZCXODMHMFFOHZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.64
Rot. Bonds5

About N,N'-bis(cyclohexylideneamino)butanediamide

N,N'-bis(cyclohexylideneamino)butanediamide (PubChem CID 4300425) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N'-bis(cyclohexylideneamino)butanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclohexylideneamino)butanediamide
PubChem CID4300425
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN,N'-bis(cyclohexylideneamino)butanediamide
SMILESO=C(CCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C16H26N4O2/c21-15(19-17-13-7-3-1-4-8-13)11-12-16(22)20-18-14-9-5-2-6-10-14/h1-12H2,(H,19,21)(H,20,22)
InChIKeyYZCXODMHMFFOHZ-UHFFFAOYSA-N
XLogP2.64
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'~1~,N'~6~-dicyclohexylidenehexanedihydrazide
CID 534701
N'~1~,N'~7~-dicyclohexylideneheptanedihydrazide
CID 4048049
N'~1~,N'~4~-bis[(1Z)-3-methylcyclohexylidene]butanedihydrazide
CID 17386501
N,N'-bis[(2-methylcyclohexylidene)amino]butanediamide
CID 2837081
N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide
CID 3276318
N,N'-bis[(4-methylcyclohexylidene)amino]butanediamide
CID 3396675
N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide
CID 4121316
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
N,N'-bis(pentan-2-ylideneamino)butanediamide
CID 4321643
N,N'-bis(cyclododecylideneamino)butanediamide
CID 4389000
N'~1~,N'~3~-dicyclohexylidenemalonohydrazide
CID 4417141
N'(1),N'(5)-Dicyclohexylidenepentanedihydrazide
CID 4589806

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(cyclohexylideneamino)butanediamide?
The IUPAC name of N,N'-bis(cyclohexylideneamino)butanediamide (CID 4300425) is N,N'-bis(cyclohexylideneamino)butanediamide.
What is the SMILES notation for N,N'-bis(cyclohexylideneamino)butanediamide?
The canonical SMILES for N,N'-bis(cyclohexylideneamino)butanediamide is O=C(CCC(=O)NN=C1CCCCC1)NN=C1CCCCC1.
What is the InChIKey of N,N'-bis(cyclohexylideneamino)butanediamide?
The InChIKey is YZCXODMHMFFOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-15(19-17-13-7-3-1-4-8-13)11-12-16(22)20-18-14-9-5-2-6-10-14/h1-12H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(cyclohexylideneamino)butanediamide?
N,N'-bis(cyclohexylideneamino)butanediamide has a molecular weight of 306.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclohexylideneamino)butanediamide is sourced from PubChem (CID 4300425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).