N,N-bis(2-methoxyethyl)prop-2-en-1-amine

C9H19NO2 — CID 581788

IUPACN,N-bis(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CCOC
InChIInChI=1S/C9H19NO2/c1-4-5-10(6-8-11-2)7-9-12-3/h4H,1,5-9H2,2-3H3
InChIKeyWTIZZWVMLVWCDE-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.77
Rot. Bonds8

About N,N-bis(2-methoxyethyl)prop-2-en-1-amine

N,N-bis(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 581788) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)prop-2-en-1-amine
PubChem CID581788
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN,N-bis(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CCOC
InChIInChI=1S/C9H19NO2/c1-4-5-10(6-8-11-2)7-9-12-3/h4H,1,5-9H2,2-3H3
InChIKeyWTIZZWVMLVWCDE-UHFFFAOYSA-N
XLogP0.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis(2-methoxyethyl)prop-2-en-1-amine 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-bis(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)prop-2-en-1-amine (CID 581788) is N,N-bis(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)prop-2-en-1-amine is C=CCN(CCOC)CCOC.
What is the InChIKey of N,N-bis(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is WTIZZWVMLVWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-10(6-8-11-2)7-9-12-3/h4H,1,5-9H2,2-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)prop-2-en-1-amine?
N,N-bis(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 581788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).