N,N-diethylethanamine;2-(ethylamino)ethanol

C10H26N2O — CID 87585647

IUPACN,N-diethylethanamine;2-(ethylamino)ethanol
SMILESCCN(CC)CC.CCNCCO
InChIInChI=1S/C6H15N.C4H11NO/c1-4-7(5-2)6-3;1-2-5-3-4-6/h4-6H2,1-3H3;5-6H,2-4H2,1H3
InChIKeyCLCLUGSJNXAIPP-UHFFFAOYSA-N
MW190.33 g/mol
LogP0.94
Rot. Bonds6

About N,N-diethylethanamine;2-(ethylamino)ethanol

N,N-diethylethanamine;2-(ethylamino)ethanol (PubChem CID 87585647) has the molecular formula C10H26N2O and a molecular weight of 190.33 g/mol. Its IUPAC name is N,N-diethylethanamine;2-(ethylamino)ethanol.

Molecular Properties

Compound NameN,N-diethylethanamine;2-(ethylamino)ethanol
PubChem CID87585647
Molecular FormulaC10H26N2O
Molecular Weight190.33 g/mol
Exact Mass190.20
IUPAC NameN,N-diethylethanamine;2-(ethylamino)ethanol
SMILESCCN(CC)CC.CCNCCO
InChIInChI=1S/C6H15N.C4H11NO/c1-4-7(5-2)6-3;1-2-5-3-4-6/h4-6H2,1-3H3;5-6H,2-4H2,1H3
InChIKeyCLCLUGSJNXAIPP-UHFFFAOYSA-N
XLogP0.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethylethanamine;2-(ethylamino)ethanol 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;2-(ethylamino)ethanol?
The IUPAC name of N,N-diethylethanamine;2-(ethylamino)ethanol (CID 87585647) is N,N-diethylethanamine;2-(ethylamino)ethanol.
What is the SMILES notation for N,N-diethylethanamine;2-(ethylamino)ethanol?
The canonical SMILES for N,N-diethylethanamine;2-(ethylamino)ethanol is CCN(CC)CC.CCNCCO.
What is the InChIKey of N,N-diethylethanamine;2-(ethylamino)ethanol?
The InChIKey is CLCLUGSJNXAIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H11NO/c1-4-7(5-2)6-3;1-2-5-3-4-6/h4-6H2,1-3H3;5-6H,2-4H2,1H3.
What are the key properties of N,N-diethylethanamine;2-(ethylamino)ethanol?
N,N-diethylethanamine;2-(ethylamino)ethanol has a molecular weight of 190.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-(ethylamino)ethanol is sourced from PubChem (CID 87585647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).