N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide

C9H20N2O — CID 63174339

IUPACN'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide
SMILESCCOCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-12-7-6-11-8(10)9(2,3)4/h5-7H2,1-4H3,(H2,10,11)
InChIKeyVPBPHJQZTHBZCT-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.43
Rot. Bonds4

About N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide

N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide (PubChem CID 63174339) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide
PubChem CID63174339
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide
SMILESCCOCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-12-7-6-11-8(10)9(2,3)4/h5-7H2,1-4H3,(H2,10,11)
InChIKeyVPBPHJQZTHBZCT-UHFFFAOYSA-N
XLogP1.43
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.43
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-ethoxyethyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide (CID 63174339) is N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide is CCOCC/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide?
The InChIKey is VPBPHJQZTHBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-12-7-6-11-8(10)9(2,3)4/h5-7H2,1-4H3,(H2,10,11).
What are the key properties of N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide?
N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63174339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).