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

C22H38N4O2 — CID 4121316

IUPACN,N'-bis[(4-propylcyclohexylidene)amino]butanediamide
SMILESCCCC1CCC(=NNC(=O)CCC(=O)NN=C2CCC(CCC)CC2)CC1
InChIInChI=1S/C22H38N4O2/c1-3-5-17-7-11-19(12-8-17)23-25-21(27)15-16-22(28)26-24-20-13-9-18(6-4-2)10-14-20/h17-18H,3-16H2,1-2H3,(H,25,27)(H,26,28)/b23-19-,24-20-
InChIKeyHHRCULSXOCHCAY-SRPFLQSCSA-N
MW390.57 g/mol
LogP4.69
Rot. Bonds9

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

N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide (PubChem CID 4121316) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-propylcyclohexylidene)amino]butanediamide
PubChem CID4121316
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN,N'-bis[(4-propylcyclohexylidene)amino]butanediamide
SMILESCCCC1CCC(=NNC(=O)CCC(=O)NN=C2CCC(CCC)CC2)CC1
InChIInChI=1S/C22H38N4O2/c1-3-5-17-7-11-19(12-8-17)23-25-21(27)15-16-22(28)26-24-20-13-9-18(6-4-2)10-14-20/h17-18H,3-16H2,1-2H3,(H,25,27)(H,26,28)/b23-19-,24-20-
InChIKeyHHRCULSXOCHCAY-SRPFLQSCSA-N
XLogP4.69
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.69
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'~5~-bis(4-tert-butylcyclohexylidene)pentanedihydrazide
CID 3284195
N,N'-bis[(E)-4-methylpentan-2-ylideneamino]butanediamide
CID 27493450
N'~1~,N'~4~-bis[(2Z)-4-methylpentan-2-ylidene]butanedihydrazide
CID 6112774
N'~1~,N'~4~-bis[(1Z)-3-methylcyclohexylidene]butanedihydrazide
CID 17386501
N'~1~,N'~4~-dicyclohexylidenesuccinohydrazide
CID 4300425
N-[(Z)-1-cyclohexylbutylideneamino]cyclohexanecarboxamide
CID 171400427
N,N'-bis[(2-methylcyclohexylidene)amino]butanediamide
CID 2837081
N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide
CID 3263708
N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide
CID 3276318
N,N'-bis[(4-tert-butylcyclohexylidene)amino]octanediamide
CID 3276455
N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide
CID 3306443
N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide
CID 3363702

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide?
The IUPAC name of N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide (CID 4121316) is N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide.
What is the SMILES notation for N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide?
The canonical SMILES for N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide is CCCC1CCC(=NNC(=O)CCC(=O)NN=C2CCC(CCC)CC2)CC1.
What is the InChIKey of N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide?
The InChIKey is HHRCULSXOCHCAY-SRPFLQSCSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-3-5-17-7-11-19(12-8-17)23-25-21(27)15-16-22(28)26-24-20-13-9-18(6-4-2)10-14-20/h17-18H,3-16H2,1-2H3,(H,25,27)(H,26,28)/b23-19-,24-20-.
What are the key properties of N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide?
N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide has a molecular weight of 390.57 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-propylcyclohexylidene)amino]butanediamide is sourced from PubChem (CID 4121316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).