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

C25H44N4O2 — CID 3284195

IUPACN,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C25H44N4O2/c1-24(2,3)18-10-14-20(15-11-18)26-28-22(30)8-7-9-23(31)29-27-21-16-12-19(13-17-21)25(4,5)6/h18-19H,7-17H2,1-6H3,(H,28,30)(H,29,31)/b26-20-,27-21-
InChIKeyLAVNLBBLQBABTE-AQPNWFMJSA-N
MW432.65 g/mol
LogP5.57
Rot. Bonds6

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

N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide (PubChem CID 3284195) has the molecular formula C25H44N4O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide
PubChem CID3284195
Molecular FormulaC25H44N4O2
Molecular Weight432.65 g/mol
Exact Mass432.35
IUPAC NameN,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C25H44N4O2/c1-24(2,3)18-10-14-20(15-11-18)26-28-22(30)8-7-9-23(31)29-27-21-16-12-19(13-17-21)25(4,5)6/h18-19H,7-17H2,1-6H3,(H,28,30)(H,29,31)/b26-20-,27-21-
InChIKeyLAVNLBBLQBABTE-AQPNWFMJSA-N
XLogP5.57
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 55.57
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-[(4-tert-butylcyclohexylidene)amino]cyclohexanecarboxamide
CID 4157512
4-tert-butyl-4,4a,5,6,7,8-hexahydro-2H-cinnolin-3-one
CID 20441602
N-[(E)-1-cyclohexylbutylideneamino]-3-methylcyclohexane-1-carboxamide
CID 171400400
N-[(E)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide
CID 171400443
N-[(Z)-1-cyclohexylpentylideneamino]-3-methylcyclohexane-1-carboxamide
CID 171400515
N,N'-bis[(4-tert-butylcyclohexylidene)amino]hexanediamide
CID 3263708
N,N'-bis(2,6-dimethylheptan-4-ylideneamino)pentanediamide
CID 3276217
N,N'-bis[(4-tert-butylcyclohexylidene)amino]octanediamide
CID 3276455
N,N'-bis[(4-tert-butylcyclohexylidene)amino]butanediamide
CID 3306443
N-[(4-tert-butylcyclohexylidene)amino]nonanamide
CID 3348920
N-[(4-tert-butylcyclohexylidene)amino]decanamide
CID 3348922
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-tert-butylcyclohexylidene)amino]pentanediamide?
The IUPAC name of N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide (CID 3284195) is N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide.
What is the SMILES notation for N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide?
The canonical SMILES for N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide is CC(C)(C)C1CCC(=NNC(=O)CCCC(=O)NN=C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide?
The InChIKey is LAVNLBBLQBABTE-AQPNWFMJSA-N. The full InChI is InChI=1S/C25H44N4O2/c1-24(2,3)18-10-14-20(15-11-18)26-28-22(30)8-7-9-23(31)29-27-21-16-12-19(13-17-21)25(4,5)6/h18-19H,7-17H2,1-6H3,(H,28,30)(H,29,31)/b26-20-,27-21-.
What are the key properties of N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide?
N,N'-bis[(4-tert-butylcyclohexylidene)amino]pentanediamide has a molecular weight of 432.65 g/mol, XLogP of 5.57, 6 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]pentanediamide is sourced from PubChem (CID 3284195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).