N,N-diethylethanamine;hydron;bromide

C6H16BrN — CID 173064206

IUPACN,N-diethylethanamine;hydron;bromide
SMILESCCN(CC)CC.[Br-].[H+]
InChIInChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKeyNRTLTGGGUQIRRT-UHFFFAOYSA-N
MW182.10 g/mol
LogP-1.54
Rot. Bonds3

About N,N-diethylethanamine;hydron;bromide

N,N-diethylethanamine;hydron;bromide (PubChem CID 173064206) has the molecular formula C6H16BrN and a molecular weight of 182.10 g/mol. Its IUPAC name is N,N-diethylethanamine;hydron;bromide.

Molecular Properties

Compound NameN,N-diethylethanamine;hydron;bromide
PubChem CID173064206
Molecular FormulaC6H16BrN
Molecular Weight182.10 g/mol
Exact Mass181.05
IUPAC NameN,N-diethylethanamine;hydron;bromide
SMILESCCN(CC)CC.[Br-].[H+]
InChIInChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKeyNRTLTGGGUQIRRT-UHFFFAOYSA-N
XLogP-1.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hydron;bromide?
The IUPAC name of N,N-diethylethanamine;hydron;bromide (CID 173064206) is N,N-diethylethanamine;hydron;bromide.
What is the SMILES notation for N,N-diethylethanamine;hydron;bromide?
The canonical SMILES for N,N-diethylethanamine;hydron;bromide is CCN(CC)CC.[Br-].[H+].
What is the InChIKey of N,N-diethylethanamine;hydron;bromide?
The InChIKey is NRTLTGGGUQIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H.
What are the key properties of N,N-diethylethanamine;hydron;bromide?
N,N-diethylethanamine;hydron;bromide has a molecular weight of 182.10 g/mol, XLogP of -1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hydron;bromide is sourced from PubChem (CID 173064206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).