N-ethyl-N-methylformamide;propane

C7H17NO — CID 144948396

IUPACN-ethyl-N-methylformamide;propane
SMILESCCC.CCN(C)C=O
InChIInChI=1S/C4H9NO.C3H8/c1-3-5(2)4-6;1-3-2/h4H,3H2,1-2H3;3H2,1-2H3
InChIKeySYQQJLGAQPSHAL-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.51
Rot. Bonds2

About N-ethyl-N-methylformamide;propane

N-ethyl-N-methylformamide;propane (PubChem CID 144948396) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-ethyl-N-methylformamide;propane.

Molecular Properties

Compound NameN-ethyl-N-methylformamide;propane
PubChem CID144948396
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-ethyl-N-methylformamide;propane
SMILESCCC.CCN(C)C=O
InChIInChI=1S/C4H9NO.C3H8/c1-3-5(2)4-6;1-3-2/h4H,3H2,1-2H3;3H2,1-2H3
InChIKeySYQQJLGAQPSHAL-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.51
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 N-ethyl-N-methylformamide;propane?
The IUPAC name of N-ethyl-N-methylformamide;propane (CID 144948396) is N-ethyl-N-methylformamide;propane.
What is the SMILES notation for N-ethyl-N-methylformamide;propane?
The canonical SMILES for N-ethyl-N-methylformamide;propane is CCC.CCN(C)C=O.
What is the InChIKey of N-ethyl-N-methylformamide;propane?
The InChIKey is SYQQJLGAQPSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H8/c1-3-5(2)4-6;1-3-2/h4H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of N-ethyl-N-methylformamide;propane?
N-ethyl-N-methylformamide;propane has a molecular weight of 131.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylformamide;propane is sourced from PubChem (CID 144948396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).