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

C24H42N4O2 — CID 3306443

IUPACN,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H42N4O2/c1-23(2,3)17-7-11-19(12-8-17)25-27-21(29)15-16-22(30)28-26-20-13-9-18(10-14-20)24(4,5)6/h17-18H,7-16H2,1-6H3,(H,27,29)(H,28,30)/b25-19-,26-20-
InChIKeyBBXOVYGIOOLUNZ-DQIQZUARSA-N
MW418.63 g/mol
LogP5.18
Rot. Bonds5

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

N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide (PubChem CID 3306443) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide
PubChem CID3306443
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC NameN,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H42N4O2/c1-23(2,3)17-7-11-19(12-8-17)25-27-21(29)15-16-22(30)28-26-20-13-9-18(10-14-20)24(4,5)6/h17-18H,7-16H2,1-6H3,(H,27,29)(H,28,30)/b25-19-,26-20-
InChIKeyBBXOVYGIOOLUNZ-DQIQZUARSA-N
XLogP5.18
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 55.18
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide?
The IUPAC name of N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide (CID 3306443) is N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide.
What is the SMILES notation for N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide?
The canonical SMILES for N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide is CC(C)(C)C1CCC(=NNC(=O)CCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide?
The InChIKey is BBXOVYGIOOLUNZ-DQIQZUARSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-23(2,3)17-7-11-19(12-8-17)25-27-21(29)15-16-22(30)28-26-20-13-9-18(10-14-20)24(4,5)6/h17-18H,7-16H2,1-6H3,(H,27,29)(H,28,30)/b25-19-,26-20-.
What are the key properties of N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide?
N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide has a molecular weight of 418.63 g/mol, XLogP of 5.18, 5 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]butanediamide is sourced from PubChem (CID 3306443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).