4-[butyl(ethyl)azaniumyl]butanoate

C10H21NO2 — CID 42233866

IUPAC4-[butyl(ethyl)azaniumyl]butanoate
SMILESCCCC[NH+](CC)CCCC(=O)[O-]
InChIInChI=1S/C10H21NO2/c1-3-5-8-11(4-2)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChIKeyHIXGOIWOPHLDTM-UHFFFAOYSA-N
MW187.28 g/mol
LogP-0.78
Rot. Bonds8

About 4-[butyl(ethyl)azaniumyl]butanoate

4-[butyl(ethyl)azaniumyl]butanoate (PubChem CID 42233866) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[butyl(ethyl)azaniumyl]butanoate.

Molecular Properties

Compound Name4-[butyl(ethyl)azaniumyl]butanoate
PubChem CID42233866
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[butyl(ethyl)azaniumyl]butanoate
SMILESCCCC[NH+](CC)CCCC(=O)[O-]
InChIInChI=1S/C10H21NO2/c1-3-5-8-11(4-2)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChIKeyHIXGOIWOPHLDTM-UHFFFAOYSA-N
XLogP-0.78
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylazaniumyl)butanoate
CID 38988212
5-(dibutylazaniumyl)pentanoate
CID 28983390
5-[butyl(methyl)azaniumyl]pentanoate
CID 28972345
dodecanoate;tripropylazanium
CID 139301601
iodanium pentanoate
CID 87769963
tris(pentanoate);rhodium(3+)
CID 51036063
barium(2+);bis(pentanoate)
CID 14619942
azanium tris(pentanoate)
CID 21124108
gold(3+);tris(pentanoate)
CID 157094863
gallium tris(pentanoate)
CID 173230335
diethyl(methyl)azanium;pentanoate
CID 87523267
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)azaniumyl]butanoate?
The IUPAC name of 4-[butyl(ethyl)azaniumyl]butanoate (CID 42233866) is 4-[butyl(ethyl)azaniumyl]butanoate.
What is the SMILES notation for 4-[butyl(ethyl)azaniumyl]butanoate?
The canonical SMILES for 4-[butyl(ethyl)azaniumyl]butanoate is CCCC[NH+](CC)CCCC(=O)[O-].
What is the InChIKey of 4-[butyl(ethyl)azaniumyl]butanoate?
The InChIKey is HIXGOIWOPHLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-8-11(4-2)9-6-7-10(12)13/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 4-[butyl(ethyl)azaniumyl]butanoate?
4-[butyl(ethyl)azaniumyl]butanoate has a molecular weight of 187.28 g/mol, XLogP of -0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)azaniumyl]butanoate is sourced from PubChem (CID 42233866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).