N,N'-bis(cyclohexylideneamino)heptanediamide

C19H32N4O2 — CID 4048049

IUPACN,N'-bis(cyclohexylideneamino)heptanediamide
SMILESO=C(CCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C19H32N4O2/c24-18(22-20-16-10-4-1-5-11-16)14-8-3-9-15-19(25)23-21-17-12-6-2-7-13-17/h1-15H2,(H,22,24)(H,23,25)
InChIKeyYNJWSNFYRPLQOO-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.81
Rot. Bonds8

About N,N'-bis(cyclohexylideneamino)heptanediamide

N,N'-bis(cyclohexylideneamino)heptanediamide (PubChem CID 4048049) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N'-bis(cyclohexylideneamino)heptanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclohexylideneamino)heptanediamide
PubChem CID4048049
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN,N'-bis(cyclohexylideneamino)heptanediamide
SMILESO=C(CCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C19H32N4O2/c24-18(22-20-16-10-4-1-5-11-16)14-8-3-9-15-19(25)23-21-17-12-6-2-7-13-17/h1-15H2,(H,22,24)(H,23,25)
InChIKeyYNJWSNFYRPLQOO-UHFFFAOYSA-N
XLogP3.81
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(cyclohexylideneamino)heptanediamide?
The IUPAC name of N,N'-bis(cyclohexylideneamino)heptanediamide (CID 4048049) is N,N'-bis(cyclohexylideneamino)heptanediamide.
What is the SMILES notation for N,N'-bis(cyclohexylideneamino)heptanediamide?
The canonical SMILES for N,N'-bis(cyclohexylideneamino)heptanediamide is O=C(CCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1.
What is the InChIKey of N,N'-bis(cyclohexylideneamino)heptanediamide?
The InChIKey is YNJWSNFYRPLQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c24-18(22-20-16-10-4-1-5-11-16)14-8-3-9-15-19(25)23-21-17-12-6-2-7-13-17/h1-15H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(cyclohexylideneamino)heptanediamide?
N,N'-bis(cyclohexylideneamino)heptanediamide has a molecular weight of 348.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclohexylideneamino)heptanediamide is sourced from PubChem (CID 4048049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).