N-(2-methoxyethyl)-N-methylpropanimidamide

C7H16N2O — CID 63177887

IUPACN-(2-methoxyethyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CCOC
InChIInChI=1S/C7H16N2O/c1-4-7(8)9(2)5-6-10-3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyAUHHURAWXNCQOV-BQYQJAHWSA-N
MW144.22 g/mol
LogP0.95
Rot. Bonds4

About N-(2-methoxyethyl)-N-methylpropanimidamide

N-(2-methoxyethyl)-N-methylpropanimidamide (PubChem CID 63177887) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methylpropanimidamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methylpropanimidamide
PubChem CID63177887
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(2-methoxyethyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CCOC
InChIInChI=1S/C7H16N2O/c1-4-7(8)9(2)5-6-10-3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyAUHHURAWXNCQOV-BQYQJAHWSA-N
XLogP0.95
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-N-methylpropanimidamide?
The IUPAC name of N-(2-methoxyethyl)-N-methylpropanimidamide (CID 63177887) is N-(2-methoxyethyl)-N-methylpropanimidamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methylpropanimidamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methylpropanimidamide is [H]/N=C(\CC)N(C)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N-methylpropanimidamide?
The InChIKey is AUHHURAWXNCQOV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-7(8)9(2)5-6-10-3/h8H,4-6H2,1-3H3/b8-7+.
What are the key properties of N-(2-methoxyethyl)-N-methylpropanimidamide?
N-(2-methoxyethyl)-N-methylpropanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methylpropanimidamide is sourced from PubChem (CID 63177887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).