N,N-diethyl-2-methoxypropanimidamide

C8H18N2O — CID 79605131

IUPACN,N-diethyl-2-methoxypropanimidamide
SMILES[H]/N=C(\C(C)OC)N(CC)CC
InChIInChI=1S/C8H18N2O/c1-5-10(6-2)8(9)7(3)11-4/h7,9H,5-6H2,1-4H3/b9-8+
InChIKeyFCWYYEAUNHDJGC-CMDGGOBGSA-N
MW158.25 g/mol
LogP1.34
Rot. Bonds4

About N,N-diethyl-2-methoxypropanimidamide

N,N-diethyl-2-methoxypropanimidamide (PubChem CID 79605131) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N,N-diethyl-2-methoxypropanimidamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxypropanimidamide
PubChem CID79605131
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN,N-diethyl-2-methoxypropanimidamide
SMILES[H]/N=C(\C(C)OC)N(CC)CC
InChIInChI=1S/C8H18N2O/c1-5-10(6-2)8(9)7(3)11-4/h7,9H,5-6H2,1-4H3/b9-8+
InChIKeyFCWYYEAUNHDJGC-CMDGGOBGSA-N
XLogP1.34
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.34
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,N-diethyl-2-methoxypropanimidamide?
The IUPAC name of N,N-diethyl-2-methoxypropanimidamide (CID 79605131) is N,N-diethyl-2-methoxypropanimidamide.
What is the SMILES notation for N,N-diethyl-2-methoxypropanimidamide?
The canonical SMILES for N,N-diethyl-2-methoxypropanimidamide is [H]/N=C(\C(C)OC)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methoxypropanimidamide?
The InChIKey is FCWYYEAUNHDJGC-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-10(6-2)8(9)7(3)11-4/h7,9H,5-6H2,1-4H3/b9-8+.
What are the key properties of N,N-diethyl-2-methoxypropanimidamide?
N,N-diethyl-2-methoxypropanimidamide has a molecular weight of 158.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxypropanimidamide is sourced from PubChem (CID 79605131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).