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

C13H28N2O2 — CID 88678872

IUPACN,N'-bis(2-ethoxyethyl)pentanimidamide
SMILESCCCC/C(=N\CCOCC)NCCOCC
InChIInChI=1S/C13H28N2O2/c1-4-7-8-13(14-9-11-16-5-2)15-10-12-17-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKeySGBXGCCWUMYDGE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.24
Rot. Bonds11

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

N,N'-bis(2-ethoxyethyl)pentanimidamide (PubChem CID 88678872) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N,N'-bis(2-ethoxyethyl)pentanimidamide.

Molecular Properties

Compound NameN,N'-bis(2-ethoxyethyl)pentanimidamide
PubChem CID88678872
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN,N'-bis(2-ethoxyethyl)pentanimidamide
SMILESCCCC/C(=N\CCOCC)NCCOCC
InChIInChI=1S/C13H28N2O2/c1-4-7-8-13(14-9-11-16-5-2)15-10-12-17-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKeySGBXGCCWUMYDGE-UHFFFAOYSA-N
XLogP2.24
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.24
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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Related Compounds

N-(3-butoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2104722
N-(3-methoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 207404
N-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79503614
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79503615
N-[2-(2,2-difluoroethoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 105910454
N-[2-(2,2-difluoroethoxy)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 105910652
N-(3-methoxypropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 20729987
N-(2-methoxyethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 59089682
N,N'-bis(2-ethoxyethyl)nonanimidamide
CID 88678149
N,N'-bis(2-ethoxyethyl)heptanimidamide
CID 88678197
N,N'-bis(2-ethoxyethyl)hexanimidamide
CID 88678254
N,N'-bis(2-ethoxyethyl)propanimidamide
CID 88678276

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethoxyethyl)pentanimidamide?
The IUPAC name of N,N'-bis(2-ethoxyethyl)pentanimidamide (CID 88678872) is N,N'-bis(2-ethoxyethyl)pentanimidamide.
What is the SMILES notation for N,N'-bis(2-ethoxyethyl)pentanimidamide?
The canonical SMILES for N,N'-bis(2-ethoxyethyl)pentanimidamide is CCCC/C(=N\CCOCC)NCCOCC.
What is the InChIKey of N,N'-bis(2-ethoxyethyl)pentanimidamide?
The InChIKey is SGBXGCCWUMYDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-8-13(14-9-11-16-5-2)15-10-12-17-6-3/h4-12H2,1-3H3,(H,14,15).
What are the key properties of N,N'-bis(2-ethoxyethyl)pentanimidamide?
N,N'-bis(2-ethoxyethyl)pentanimidamide has a molecular weight of 244.38 g/mol, XLogP of 2.24, 11 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)pentanimidamide is sourced from PubChem (CID 88678872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).