dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium

C8H20N3O+ — CID 142404926

IUPACdimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium
SMILESCNCCC(=O)NCC[NH+](C)C
InChIInChI=1S/C8H19N3O/c1-9-5-4-8(12)10-6-7-11(2)3/h9H,4-7H2,1-3H3,(H,10,12)/p+1
InChIKeyHQMFXRVSNRZSIY-UHFFFAOYSA-O
MW174.27 g/mol
LogP-2.14
Rot. Bonds6

About dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium

dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium (PubChem CID 142404926) has the molecular formula C8H20N3O+ and a molecular weight of 174.27 g/mol. Its IUPAC name is dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium
PubChem CID142404926
Molecular FormulaC8H20N3O+
Molecular Weight174.27 g/mol
Exact Mass174.16
IUPAC Namedimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium
SMILESCNCCC(=O)NCC[NH+](C)C
InChIInChI=1S/C8H19N3O/c1-9-5-4-8(12)10-6-7-11(2)3/h9H,4-7H2,1-3H3,(H,10,12)/p+1
InChIKeyHQMFXRVSNRZSIY-UHFFFAOYSA-O
XLogP-2.14
TPSA45.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium (CID 142404926) is dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium is CNCCC(=O)NCC[NH+](C)C.
What is the InChIKey of dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium?
The InChIKey is HQMFXRVSNRZSIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N3O/c1-9-5-4-8(12)10-6-7-11(2)3/h9H,4-7H2,1-3H3,(H,10,12)/p+1.
What are the key properties of dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium?
dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium has a molecular weight of 174.27 g/mol, XLogP of -2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium is sourced from PubChem (CID 142404926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).