N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide

C22H34N4O2 — CID 3645839

IUPACN,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=CC1CC2CCC1C2)NN=CC1CC2CCC1C2
InChIInChI=1S/C22H34N4O2/c27-21(25-23-13-19-11-15-5-7-17(19)9-15)3-1-2-4-22(28)26-24-14-20-12-16-6-8-18(20)10-16/h13-20H,1-12H2,(H,25,27)(H,26,28)
InChIKeyBSLBPCGUEKNUFS-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.62
Rot. Bonds9

About N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide

N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide (PubChem CID 3645839) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
PubChem CID3645839
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=CC1CC2CCC1C2)NN=CC1CC2CCC1C2
InChIInChI=1S/C22H34N4O2/c27-21(25-23-13-19-11-15-5-7-17(19)9-15)3-1-2-4-22(28)26-24-14-20-12-16-6-8-18(20)10-16/h13-20H,1-12H2,(H,25,27)(H,26,28)
InChIKeyBSLBPCGUEKNUFS-UHFFFAOYSA-N
XLogP3.62
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.62
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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Related Compounds

N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
CID 100806176
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
CID 4197007
N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]cyclopropanecarboxamide
CID 6163235
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]cyclohexanecarboxamide
CID 51028154
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
CID 7438142
N,N'-bis[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275412
N-[(E)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(E)-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275419
(2-bicyclo[2.2.2]octanylmethylideneamino)urea
CID 165355280
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 129439089
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
CID 3098524
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
CID 7290216
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide?
The IUPAC name of N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide (CID 3645839) is N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide.
What is the SMILES notation for N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide?
The canonical SMILES for N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide is O=C(CCCCC(=O)NN=CC1CC2CCC1C2)NN=CC1CC2CCC1C2.
What is the InChIKey of N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide?
The InChIKey is BSLBPCGUEKNUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-21(25-23-13-19-11-15-5-7-17(19)9-15)3-1-2-4-22(28)26-24-14-20-12-16-6-8-18(20)10-16/h13-20H,1-12H2,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide?
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide has a molecular weight of 386.54 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide is sourced from PubChem (CID 3645839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).