N-ethyl-1-propoxyethanamine

C7H17NO — CID 22450254

IUPACN-ethyl-1-propoxyethanamine
SMILESCCCOC(C)NCC
InChIInChI=1S/C7H17NO/c1-4-6-9-7(3)8-5-2/h7-8H,4-6H2,1-3H3
InChIKeyICBMNWBVSXMWHU-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.37
Rot. Bonds5

About N-ethyl-1-propoxyethanamine

N-ethyl-1-propoxyethanamine (PubChem CID 22450254) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-ethyl-1-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-propoxyethanamine
PubChem CID22450254
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-ethyl-1-propoxyethanamine
SMILESCCCOC(C)NCC
InChIInChI=1S/C7H17NO/c1-4-6-9-7(3)8-5-2/h7-8H,4-6H2,1-3H3
InChIKeyICBMNWBVSXMWHU-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-ethyl-1-propoxyethanamine 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-ethyl-1-propoxyethanamine?
The IUPAC name of N-ethyl-1-propoxyethanamine (CID 22450254) is N-ethyl-1-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-propoxyethanamine?
The canonical SMILES for N-ethyl-1-propoxyethanamine is CCCOC(C)NCC.
What is the InChIKey of N-ethyl-1-propoxyethanamine?
The InChIKey is ICBMNWBVSXMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6-9-7(3)8-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-propoxyethanamine?
N-ethyl-1-propoxyethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propoxyethanamine is sourced from PubChem (CID 22450254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).