N'-(2-methoxyethyl)-3-methylbutanimidamide

C8H18N2O — CID 63181243

IUPACN'-(2-methoxyethyl)-3-methylbutanimidamide
SMILESCOCC/N=C(/N)CC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)6-8(9)10-4-5-11-3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyUKVKHXZCVNPXRX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.04
Rot. Bonds5

About N'-(2-methoxyethyl)-3-methylbutanimidamide

N'-(2-methoxyethyl)-3-methylbutanimidamide (PubChem CID 63181243) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-3-methylbutanimidamide
PubChem CID63181243
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(2-methoxyethyl)-3-methylbutanimidamide
SMILESCOCC/N=C(/N)CC(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)6-8(9)10-4-5-11-3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyUKVKHXZCVNPXRX-UHFFFAOYSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-3-methylbutanimidamide?
The IUPAC name of N'-(2-methoxyethyl)-3-methylbutanimidamide (CID 63181243) is N'-(2-methoxyethyl)-3-methylbutanimidamide.
What is the SMILES notation for N'-(2-methoxyethyl)-3-methylbutanimidamide?
The canonical SMILES for N'-(2-methoxyethyl)-3-methylbutanimidamide is COCC/N=C(/N)CC(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-3-methylbutanimidamide?
The InChIKey is UKVKHXZCVNPXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)6-8(9)10-4-5-11-3/h7H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-(2-methoxyethyl)-3-methylbutanimidamide?
N'-(2-methoxyethyl)-3-methylbutanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-3-methylbutanimidamide is sourced from PubChem (CID 63181243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).