ethane;N-ethyl-N-methylformamide

C6H15NO — CID 144509859

IUPACethane;N-ethyl-N-methylformamide
SMILESCC.CCN(C)C=O
InChIInChI=1S/C4H9NO.C2H6/c1-3-5(2)4-6;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyGSJOYZINQHXUOS-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.12
Rot. Bonds2

About ethane;N-ethyl-N-methylformamide

ethane;N-ethyl-N-methylformamide (PubChem CID 144509859) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylformamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylformamide
PubChem CID144509859
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameethane;N-ethyl-N-methylformamide
SMILESCC.CCN(C)C=O
InChIInChI=1S/C4H9NO.C2H6/c1-3-5(2)4-6;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyGSJOYZINQHXUOS-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylformamide?
The IUPAC name of ethane;N-ethyl-N-methylformamide (CID 144509859) is ethane;N-ethyl-N-methylformamide.
What is the SMILES notation for ethane;N-ethyl-N-methylformamide?
The canonical SMILES for ethane;N-ethyl-N-methylformamide is CC.CCN(C)C=O.
What is the InChIKey of ethane;N-ethyl-N-methylformamide?
The InChIKey is GSJOYZINQHXUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6/c1-3-5(2)4-6;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methylformamide?
ethane;N-ethyl-N-methylformamide has a molecular weight of 117.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylformamide is sourced from PubChem (CID 144509859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).