N,N-diethylethanamine;prop-2-enoic acid

C9H19NO2 — CID 6453210

IUPACN,N-diethylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C3H4O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H,1H2,(H,4,5)
InChIKeyCKCQRGCWKDEOSO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.61
Rot. Bonds4

About N,N-diethylethanamine;prop-2-enoic acid

N,N-diethylethanamine;prop-2-enoic acid (PubChem CID 6453210) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-diethylethanamine;prop-2-enoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;prop-2-enoic acid
PubChem CID6453210
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN,N-diethylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCN(CC)CC
InChIInChI=1S/C6H15N.C3H4O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H,1H2,(H,4,5)
InChIKeyCKCQRGCWKDEOSO-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N-diethylethanamine;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;prop-2-enoic acid?
The IUPAC name of N,N-diethylethanamine;prop-2-enoic acid (CID 6453210) is N,N-diethylethanamine;prop-2-enoic acid.
What is the SMILES notation for N,N-diethylethanamine;prop-2-enoic acid?
The canonical SMILES for N,N-diethylethanamine;prop-2-enoic acid is C=CC(=O)O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;prop-2-enoic acid?
The InChIKey is CKCQRGCWKDEOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H4O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H,1H2,(H,4,5).
What are the key properties of N,N-diethylethanamine;prop-2-enoic acid?
N,N-diethylethanamine;prop-2-enoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;prop-2-enoic acid is sourced from PubChem (CID 6453210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).