N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine

C9H20N2O2 — CID 82835116

IUPACN-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CCCO1
InChIInChI=1S/C9H20N2O2/c1-12-6-4-11-8(7-10)9-3-2-5-13-9/h8-9,11H,2-7,10H2,1H3
InChIKeyHATZXFOKLDLEPU-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.27
Rot. Bonds6

About N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835116) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835116
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CCCO1
InChIInChI=1S/C9H20N2O2/c1-12-6-4-11-8(7-10)9-3-2-5-13-9/h8-9,11H,2-7,10H2,1H3
InChIKeyHATZXFOKLDLEPU-UHFFFAOYSA-N
XLogP-0.27
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine 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-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835116) is N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine is COCCNC(CN)C1CCCO1.
What is the InChIKey of N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is HATZXFOKLDLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-6-4-11-8(7-10)9-3-2-5-13-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 188.27 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).