N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide

C9H18N2O — CID 58153409

IUPACN-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide
SMILESCCN(/C=N/C)C(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-6-11(7-10-5)8(12)9(2,3)4/h7H,6H2,1-5H3/b10-7+
InChIKeyJSRPAWSHYWUSPG-JXMROGBWSA-N
MW170.26 g/mol
LogP1.54
Rot. Bonds2

About N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide

N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide (PubChem CID 58153409) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide
PubChem CID58153409
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide
SMILESCCN(/C=N/C)C(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-6-11(7-10-5)8(12)9(2,3)4/h7H,6H2,1-5H3/b10-7+
InChIKeyJSRPAWSHYWUSPG-JXMROGBWSA-N
XLogP1.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
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-2,2-dimethyl-N-(methyliminomethyl)propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide (CID 58153409) is N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide is CCN(/C=N/C)C(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide?
The InChIKey is JSRPAWSHYWUSPG-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6-11(7-10-5)8(12)9(2,3)4/h7H,6H2,1-5H3/b10-7+.
What are the key properties of N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide?
N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide is sourced from PubChem (CID 58153409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).