4-aminobutanoic acid;N,N-diethylethanamine

C10H24N2O2 — CID 174394396

IUPAC4-aminobutanoic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.NCCCC(=O)O
InChIInChI=1S/C6H15N.C4H9NO2/c1-4-7(5-2)6-3;5-3-1-2-4(6)7/h4-6H2,1-3H3;1-3,5H2,(H,6,7)
InChIKeyULJGXOBTOLESGW-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.16
Rot. Bonds6

About 4-aminobutanoic acid;N,N-diethylethanamine

4-aminobutanoic acid;N,N-diethylethanamine (PubChem CID 174394396) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-aminobutanoic acid;N,N-diethylethanamine.

Molecular Properties

Compound Name4-aminobutanoic acid;N,N-diethylethanamine
PubChem CID174394396
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name4-aminobutanoic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.NCCCC(=O)O
InChIInChI=1S/C6H15N.C4H9NO2/c1-4-7(5-2)6-3;5-3-1-2-4(6)7/h4-6H2,1-3H3;1-3,5H2,(H,6,7)
InChIKeyULJGXOBTOLESGW-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Butyric acid, 4-(diethylamino)-
CID 44844
Isoputreanine
CID 171763
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
4-(Pentylamino)butanoic acid
CID 13292338
3-Carboxypropyl(triethyl)azanium
CID 15278121
4-(Propylamino)butanoic acid
CID 16769183
3-Isobutyl-g-aminobutyric acid
CID 18071581
(Ethylendiimino)-dibutyric acid
CID 53815926
4-(Ethylamino)butanoic acid
CID 13082753
4-(6-Aminohexylamino)butanoic acid
CID 153791974
4-[2-(2-Aminoethylamino)ethylamino]butanoic acid
CID 175033060

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;N,N-diethylethanamine?
The IUPAC name of 4-aminobutanoic acid;N,N-diethylethanamine (CID 174394396) is 4-aminobutanoic acid;N,N-diethylethanamine.
What is the SMILES notation for 4-aminobutanoic acid;N,N-diethylethanamine?
The canonical SMILES for 4-aminobutanoic acid;N,N-diethylethanamine is CCN(CC)CC.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;N,N-diethylethanamine?
The InChIKey is ULJGXOBTOLESGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H9NO2/c1-4-7(5-2)6-3;5-3-1-2-4(6)7/h4-6H2,1-3H3;1-3,5H2,(H,6,7).
What are the key properties of 4-aminobutanoic acid;N,N-diethylethanamine?
4-aminobutanoic acid;N,N-diethylethanamine has a molecular weight of 204.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;N,N-diethylethanamine is sourced from PubChem (CID 174394396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).