N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide

C21H32N4O2 — CID 3443087

IUPACN,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide
SMILESO=C(CCCCCC(=O)NN=CC1CC=CCC1)NN=CC1CC=CCC1
InChIInChI=1S/C21H32N4O2/c26-20(24-22-16-18-10-4-1-5-11-18)14-8-3-9-15-21(27)25-23-17-19-12-6-2-7-13-19/h1-2,4,6,16-19H,3,5,7-15H2,(H,24,26)(H,25,27)
InChIKeyZVOZYQDADOVQQQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.85
Rot. Bonds10

About N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide

N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide (PubChem CID 3443087) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide
PubChem CID3443087
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide
SMILESO=C(CCCCCC(=O)NN=CC1CC=CCC1)NN=CC1CC=CCC1
InChIInChI=1S/C21H32N4O2/c26-20(24-22-16-18-10-4-1-5-11-18)14-8-3-9-15-21(27)25-23-17-19-12-6-2-7-13-19/h1-2,4,6,16-19H,3,5,7-15H2,(H,24,26)(H,25,27)
InChIKeyZVOZYQDADOVQQQ-UHFFFAOYSA-N
XLogP3.85
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.85
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': 'isolated_alkene', '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(cyclohex-3-en-1-ylmethylideneamino)heptanediamide?
The IUPAC name of N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide (CID 3443087) is N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide.
What is the SMILES notation for N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide?
The canonical SMILES for N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide is O=C(CCCCCC(=O)NN=CC1CC=CCC1)NN=CC1CC=CCC1.
What is the InChIKey of N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide?
The InChIKey is ZVOZYQDADOVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-20(24-22-16-18-10-4-1-5-11-18)14-8-3-9-15-21(27)25-23-17-19-12-6-2-7-13-19/h1-2,4,6,16-19H,3,5,7-15H2,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide?
N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide has a molecular weight of 372.51 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide is sourced from PubChem (CID 3443087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).