N,N-diethylethanamine;ethanamine;hydrochloride

C8H23ClN2 — CID 87175256

IUPACN,N-diethylethanamine;ethanamine;hydrochloride
SMILESCCN.CCN(CC)CC.Cl
InChIInChI=1S/C6H15N.C2H7N.ClH/c1-4-7(5-2)6-3;1-2-3;/h4-6H2,1-3H3;2-3H2,1H3;1H
InChIKeyOMEHUHIURAIJHO-UHFFFAOYSA-N
MW182.74 g/mol
LogP1.73
Rot. Bonds3

About N,N-diethylethanamine;ethanamine;hydrochloride

N,N-diethylethanamine;ethanamine;hydrochloride (PubChem CID 87175256) has the molecular formula C8H23ClN2 and a molecular weight of 182.74 g/mol. Its IUPAC name is N,N-diethylethanamine;ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethylethanamine;ethanamine;hydrochloride
PubChem CID87175256
Molecular FormulaC8H23ClN2
Molecular Weight182.74 g/mol
Exact Mass182.15
IUPAC NameN,N-diethylethanamine;ethanamine;hydrochloride
SMILESCCN.CCN(CC)CC.Cl
InChIInChI=1S/C6H15N.C2H7N.ClH/c1-4-7(5-2)6-3;1-2-3;/h4-6H2,1-3H3;2-3H2,1H3;1H
InChIKeyOMEHUHIURAIJHO-UHFFFAOYSA-N
XLogP1.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.74
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethylethanamine;ethanamine;hydrochloride 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;ethanamine;hydrochloride?
The IUPAC name of N,N-diethylethanamine;ethanamine;hydrochloride (CID 87175256) is N,N-diethylethanamine;ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethylethanamine;ethanamine;hydrochloride?
The canonical SMILES for N,N-diethylethanamine;ethanamine;hydrochloride is CCN.CCN(CC)CC.Cl.
What is the InChIKey of N,N-diethylethanamine;ethanamine;hydrochloride?
The InChIKey is OMEHUHIURAIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H7N.ClH/c1-4-7(5-2)6-3;1-2-3;/h4-6H2,1-3H3;2-3H2,1H3;1H.
What are the key properties of N,N-diethylethanamine;ethanamine;hydrochloride?
N,N-diethylethanamine;ethanamine;hydrochloride has a molecular weight of 182.74 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;ethanamine;hydrochloride is sourced from PubChem (CID 87175256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).