N,N-diethylethanamine;methanol;acetate

C9H22NO3- — CID 19101833

IUPACN,N-diethylethanamine;methanol;acetate
SMILESCC(=O)[O-].CCN(CC)CC.CO
InChIInChI=1S/C6H15N.C2H4O2.CH4O/c1-4-7(5-2)6-3;1-2(3)4;1-2/h4-6H2,1-3H3;1H3,(H,3,4);2H,1H3/p-1
InChIKeyAPYDIYHMJJUSAT-UHFFFAOYSA-M
MW192.28 g/mol
LogP-0.29
Rot. Bonds3

About N,N-diethylethanamine;methanol;acetate

N,N-diethylethanamine;methanol;acetate (PubChem CID 19101833) has the molecular formula C9H22NO3- and a molecular weight of 192.28 g/mol. Its IUPAC name is N,N-diethylethanamine;methanol;acetate.

Molecular Properties

Compound NameN,N-diethylethanamine;methanol;acetate
PubChem CID19101833
Molecular FormulaC9H22NO3-
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC NameN,N-diethylethanamine;methanol;acetate
SMILESCC(=O)[O-].CCN(CC)CC.CO
InChIInChI=1S/C6H15N.C2H4O2.CH4O/c1-4-7(5-2)6-3;1-2(3)4;1-2/h4-6H2,1-3H3;1H3,(H,3,4);2H,1H3/p-1
InChIKeyAPYDIYHMJJUSAT-UHFFFAOYSA-M
XLogP-0.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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bis(cobalt(2+));propanoate;diacetate
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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;methanol;acetate?
The IUPAC name of N,N-diethylethanamine;methanol;acetate (CID 19101833) is N,N-diethylethanamine;methanol;acetate.
What is the SMILES notation for N,N-diethylethanamine;methanol;acetate?
The canonical SMILES for N,N-diethylethanamine;methanol;acetate is CC(=O)[O-].CCN(CC)CC.CO.
What is the InChIKey of N,N-diethylethanamine;methanol;acetate?
The InChIKey is APYDIYHMJJUSAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.C2H4O2.CH4O/c1-4-7(5-2)6-3;1-2(3)4;1-2/h4-6H2,1-3H3;1H3,(H,3,4);2H,1H3/p-1.
What are the key properties of N,N-diethylethanamine;methanol;acetate?
N,N-diethylethanamine;methanol;acetate has a molecular weight of 192.28 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methanol;acetate is sourced from PubChem (CID 19101833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).