N,N'-bis(2-ethoxyethyl)heptanimidamide

C15H32N2O2 — CID 88678197

IUPACN,N'-bis(2-ethoxyethyl)heptanimidamide
SMILESCCCCCC/C(=N\CCOCC)NCCOCC
InChIInChI=1S/C15H32N2O2/c1-4-7-8-9-10-15(16-11-13-18-5-2)17-12-14-19-6-3/h4-14H2,1-3H3,(H,16,17)
InChIKeyFWFJVVNQTNYLHK-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.02
Rot. Bonds13

About N,N'-bis(2-ethoxyethyl)heptanimidamide

N,N'-bis(2-ethoxyethyl)heptanimidamide (PubChem CID 88678197) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N,N'-bis(2-ethoxyethyl)heptanimidamide.

Molecular Properties

Compound NameN,N'-bis(2-ethoxyethyl)heptanimidamide
PubChem CID88678197
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN,N'-bis(2-ethoxyethyl)heptanimidamide
SMILESCCCCCC/C(=N\CCOCC)NCCOCC
InChIInChI=1S/C15H32N2O2/c1-4-7-8-9-10-15(16-11-13-18-5-2)17-12-14-19-6-3/h4-14H2,1-3H3,(H,16,17)
InChIKeyFWFJVVNQTNYLHK-UHFFFAOYSA-N
XLogP3.02
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethoxyethyl)heptanimidamide?
The IUPAC name of N,N'-bis(2-ethoxyethyl)heptanimidamide (CID 88678197) is N,N'-bis(2-ethoxyethyl)heptanimidamide.
What is the SMILES notation for N,N'-bis(2-ethoxyethyl)heptanimidamide?
The canonical SMILES for N,N'-bis(2-ethoxyethyl)heptanimidamide is CCCCCC/C(=N\CCOCC)NCCOCC.
What is the InChIKey of N,N'-bis(2-ethoxyethyl)heptanimidamide?
The InChIKey is FWFJVVNQTNYLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-7-8-9-10-15(16-11-13-18-5-2)17-12-14-19-6-3/h4-14H2,1-3H3,(H,16,17).
What are the key properties of N,N'-bis(2-ethoxyethyl)heptanimidamide?
N,N'-bis(2-ethoxyethyl)heptanimidamide has a molecular weight of 272.43 g/mol, XLogP of 3.02, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethoxyethyl)heptanimidamide is sourced from PubChem (CID 88678197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).