N'-ethyl-4-methoxybutanimidamide

C7H16N2O — CID 65093895

IUPACN'-ethyl-4-methoxybutanimidamide
SMILESCC/N=C(/N)CCCOC
InChIInChI=1S/C7H16N2O/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3,(H2,8,9)
InChIKeyROOACXTVOFOHOO-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.79
Rot. Bonds5

About N'-ethyl-4-methoxybutanimidamide

N'-ethyl-4-methoxybutanimidamide (PubChem CID 65093895) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-ethyl-4-methoxybutanimidamide.

Molecular Properties

Compound NameN'-ethyl-4-methoxybutanimidamide
PubChem CID65093895
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-ethyl-4-methoxybutanimidamide
SMILESCC/N=C(/N)CCCOC
InChIInChI=1S/C7H16N2O/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3,(H2,8,9)
InChIKeyROOACXTVOFOHOO-UHFFFAOYSA-N
XLogP0.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
4-methoxybutanamide
CID 22414177
4-methoxybutanamide;hydrochloride
CID 141117964
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
CID 63177169
N'-ethyl-4,4,4-trifluorobutanimidamide
CID 79964264
N'-(2,2-dimethoxyethyl)pentanimidamide
CID 126622878
4-(3-methoxypropoxy)butanethioamide
CID 60917615
1,8-dimethoxyoctane-4,5-dione
CID 139993978
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-methoxybutanimidamide?
The IUPAC name of N'-ethyl-4-methoxybutanimidamide (CID 65093895) is N'-ethyl-4-methoxybutanimidamide.
What is the SMILES notation for N'-ethyl-4-methoxybutanimidamide?
The canonical SMILES for N'-ethyl-4-methoxybutanimidamide is CC/N=C(/N)CCCOC.
What is the InChIKey of N'-ethyl-4-methoxybutanimidamide?
The InChIKey is ROOACXTVOFOHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3,(H2,8,9).
What are the key properties of N'-ethyl-4-methoxybutanimidamide?
N'-ethyl-4-methoxybutanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-methoxybutanimidamide is sourced from PubChem (CID 65093895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).