2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine

C18H39NO4 — CID 87914124

IUPAC2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
SMILESCCCOCCCCOCCNCCOCCCCOCCC
InChIInChI=1S/C18H39NO4/c1-3-11-20-13-5-7-15-22-17-9-19-10-18-23-16-8-6-14-21-12-4-2/h19H,3-18H2,1-2H3
InChIKeyHERLRMZEXVXJTL-UHFFFAOYSA-N
MW333.51 g/mol
LogP3.02
Rot. Bonds20

About 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine

2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine (PubChem CID 87914124) has the molecular formula C18H39NO4 and a molecular weight of 333.51 g/mol. Its IUPAC name is 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
PubChem CID87914124
Molecular FormulaC18H39NO4
Molecular Weight333.51 g/mol
Exact Mass333.29
IUPAC Name2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
SMILESCCCOCCCCOCCNCCOCCCCOCCC
InChIInChI=1S/C18H39NO4/c1-3-11-20-13-5-7-15-22-17-9-19-10-18-23-16-8-6-14-21-12-4-2/h19H,3-18H2,1-2H3
InChIKeyHERLRMZEXVXJTL-UHFFFAOYSA-N
XLogP3.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739
4-[2-(propylamino)ethoxy]butan-1-ol
CID 106937948
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
N-(2-butoxyethyl)heptan-1-amine
CID 61168932

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine?
The IUPAC name of 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine (CID 87914124) is 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine?
The canonical SMILES for 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine is CCCOCCCCOCCNCCOCCCCOCCC.
What is the InChIKey of 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine?
The InChIKey is HERLRMZEXVXJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO4/c1-3-11-20-13-5-7-15-22-17-9-19-10-18-23-16-8-6-14-21-12-4-2/h19H,3-18H2,1-2H3.
What are the key properties of 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine?
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine has a molecular weight of 333.51 g/mol, XLogP of 3.02, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine is sourced from PubChem (CID 87914124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).