ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide

C9H20N2O — CID 144775148

IUPACethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide
SMILESCC.CC/C(=N\C)N(C)C(C)=O
InChIInChI=1S/C7H14N2O.C2H6/c1-5-7(8-3)9(4)6(2)10;1-2/h5H2,1-4H3;1-2H3/b8-7+;
InChIKeyCVTUDAUVZWTXLN-USRGLUTNSA-N
MW172.27 g/mol
LogP1.93
Rot. Bonds1

About ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide

ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide (PubChem CID 144775148) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide.

Molecular Properties

Compound Nameethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide
PubChem CID144775148
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide
SMILESCC.CC/C(=N\C)N(C)C(C)=O
InChIInChI=1S/C7H14N2O.C2H6/c1-5-7(8-3)9(4)6(2)10;1-2/h5H2,1-4H3;1-2H3/b8-7+;
InChIKeyCVTUDAUVZWTXLN-USRGLUTNSA-N
XLogP1.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.93
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 ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide?
The IUPAC name of ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide (CID 144775148) is ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide.
What is the SMILES notation for ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide?
The canonical SMILES for ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide is CC.CC/C(=N\C)N(C)C(C)=O.
What is the InChIKey of ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide?
The InChIKey is CVTUDAUVZWTXLN-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-5-7(8-3)9(4)6(2)10;1-2/h5H2,1-4H3;1-2H3/b8-7+;.
What are the key properties of ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide?
ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide has a molecular weight of 172.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide is sourced from PubChem (CID 144775148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).