N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide

C9H20N2O — CID 58673095

IUPACN-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CC)CCOC
InChIInChI=1S/C9H20N2O/c1-5-11(6-7-12-4)9(10)8(2)3/h8,10H,5-7H2,1-4H3/b10-9+
InChIKeyKECNDROKNOQZLO-MDZDMXLPSA-N
MW172.27 g/mol
LogP1.59
Rot. Bonds5

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

N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide (PubChem CID 58673095) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide
PubChem CID58673095
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CC)CCOC
InChIInChI=1S/C9H20N2O/c1-5-11(6-7-12-4)9(10)8(2)3/h8,10H,5-7H2,1-4H3/b10-9+
InChIKeyKECNDROKNOQZLO-MDZDMXLPSA-N
XLogP1.59
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.59
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-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide (CID 58673095) is N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide is [H]/N=C(\C(C)C)N(CC)CCOC.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide?
The InChIKey is KECNDROKNOQZLO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-11(6-7-12-4)9(10)8(2)3/h8,10H,5-7H2,1-4H3/b10-9+.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide?
N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-2-methylpropanimidamide is sourced from PubChem (CID 58673095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).