N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide

C21H36N4O2 — CID 4657097

IUPACN,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
SMILESCC1CCCCC1=NNC(=O)CCCCCC(=O)NN=C1CCCCC1C
InChIInChI=1S/C21H36N4O2/c1-16-10-6-8-12-18(16)22-24-20(26)14-4-3-5-15-21(27)25-23-19-13-9-7-11-17(19)2/h16-17H,3-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCOZMTNVITSRWRD-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.30
Rot. Bonds8

About N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide

N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide (PubChem CID 4657097) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
PubChem CID4657097
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC NameN,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
SMILESCC1CCCCC1=NNC(=O)CCCCCC(=O)NN=C1CCCCC1C
InChIInChI=1S/C21H36N4O2/c1-16-10-6-8-12-18(16)22-24-20(26)14-4-3-5-15-21(27)25-23-19-13-9-7-11-17(19)2/h16-17H,3-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCOZMTNVITSRWRD-UHFFFAOYSA-N
XLogP4.30
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide?
The IUPAC name of N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide (CID 4657097) is N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide.
What is the SMILES notation for N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide?
The canonical SMILES for N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide is CC1CCCCC1=NNC(=O)CCCCCC(=O)NN=C1CCCCC1C.
What is the InChIKey of N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide?
The InChIKey is COZMTNVITSRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-16-10-6-8-12-18(16)22-24-20(26)14-4-3-5-15-21(27)25-23-19-13-9-7-11-17(19)2/h16-17H,3-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide?
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide has a molecular weight of 376.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide is sourced from PubChem (CID 4657097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).