N-[2-(methylamino)ethyl]-N-propylformamide

C7H16N2O — CID 23084415

IUPACN-[2-(methylamino)ethyl]-N-propylformamide
SMILESCCCN(C=O)CCNC
InChIInChI=1S/C7H16N2O/c1-3-5-9(7-10)6-4-8-2/h7-8H,3-6H2,1-2H3
InChIKeyXJJOSXLVUCHIMM-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.07
Rot. Bonds6

About N-[2-(methylamino)ethyl]-N-propylformamide

N-[2-(methylamino)ethyl]-N-propylformamide (PubChem CID 23084415) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-propylformamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-propylformamide
PubChem CID23084415
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[2-(methylamino)ethyl]-N-propylformamide
SMILESCCCN(C=O)CCNC
InChIInChI=1S/C7H16N2O/c1-3-5-9(7-10)6-4-8-2/h7-8H,3-6H2,1-2H3
InChIKeyXJJOSXLVUCHIMM-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(methylamino)ethyl]-N-propylformamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-propylformamide (CID 23084415) is N-[2-(methylamino)ethyl]-N-propylformamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-propylformamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-propylformamide is CCCN(C=O)CCNC.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-propylformamide?
The InChIKey is XJJOSXLVUCHIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-5-9(7-10)6-4-8-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[2-(methylamino)ethyl]-N-propylformamide?
N-[2-(methylamino)ethyl]-N-propylformamide has a molecular weight of 144.22 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-propylformamide is sourced from PubChem (CID 23084415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).