N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide

C26H46N4O2 — CID 3263708

IUPACN,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CCCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C26H46N4O2/c1-25(2,3)19-11-15-21(16-12-19)27-29-23(31)9-7-8-10-24(32)30-28-22-17-13-20(14-18-22)26(4,5)6/h19-20H,7-18H2,1-6H3,(H,29,31)(H,30,32)/b27-21-,28-22-
InChIKeyOZVFAPHWAHMBFL-ZDSKVHJSSA-N
MW446.68 g/mol
LogP5.96
Rot. Bonds7

About N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide

N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide (PubChem CID 3263708) has the molecular formula C26H46N4O2 and a molecular weight of 446.68 g/mol. Its IUPAC name is N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide
PubChem CID3263708
Molecular FormulaC26H46N4O2
Molecular Weight446.68 g/mol
Exact Mass446.36
IUPAC NameN,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CCCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C26H46N4O2/c1-25(2,3)19-11-15-21(16-12-19)27-29-23(31)9-7-8-10-24(32)30-28-22-17-13-20(14-18-22)26(4,5)6/h19-20H,7-18H2,1-6H3,(H,29,31)(H,30,32)/b27-21-,28-22-
InChIKeyOZVFAPHWAHMBFL-ZDSKVHJSSA-N
XLogP5.96
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 55.96
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[(4-tert-butylcyclohexylidene)amino]hexanediamide?
The IUPAC name of N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide (CID 3263708) is N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide.
What is the SMILES notation for N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide?
The canonical SMILES for N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide is CC(C)(C)C1CCC(=NNC(=O)CCCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide?
The InChIKey is OZVFAPHWAHMBFL-ZDSKVHJSSA-N. The full InChI is InChI=1S/C26H46N4O2/c1-25(2,3)19-11-15-21(16-12-19)27-29-23(31)9-7-8-10-24(32)30-28-22-17-13-20(14-18-22)26(4,5)6/h19-20H,7-18H2,1-6H3,(H,29,31)(H,30,32)/b27-21-,28-22-.
What are the key properties of N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide?
N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide has a molecular weight of 446.68 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide is sourced from PubChem (CID 3263708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).