butyl-(2-formamidoethyl)-dimethylazanium

C9H21N2O+ — CID 20802451

IUPACbutyl-(2-formamidoethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)CCNC=O
InChIInChI=1S/C9H20N2O/c1-4-5-7-11(2,3)8-6-10-9-12/h9H,4-8H2,1-3H3/p+1
InChIKeyFBRKZGKQFPRBHL-UHFFFAOYSA-O
MW173.28 g/mol
LogP0.61
Rot. Bonds7

About butyl-(2-formamidoethyl)-dimethylazanium

butyl-(2-formamidoethyl)-dimethylazanium (PubChem CID 20802451) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is butyl-(2-formamidoethyl)-dimethylazanium.

Molecular Properties

Compound Namebutyl-(2-formamidoethyl)-dimethylazanium
PubChem CID20802451
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Namebutyl-(2-formamidoethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)CCNC=O
InChIInChI=1S/C9H20N2O/c1-4-5-7-11(2,3)8-6-10-9-12/h9H,4-8H2,1-3H3/p+1
InChIKeyFBRKZGKQFPRBHL-UHFFFAOYSA-O
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-formamidoethyl)-dimethylazanium?
The IUPAC name of butyl-(2-formamidoethyl)-dimethylazanium (CID 20802451) is butyl-(2-formamidoethyl)-dimethylazanium.
What is the SMILES notation for butyl-(2-formamidoethyl)-dimethylazanium?
The canonical SMILES for butyl-(2-formamidoethyl)-dimethylazanium is CCCC[N+](C)(C)CCNC=O.
What is the InChIKey of butyl-(2-formamidoethyl)-dimethylazanium?
The InChIKey is FBRKZGKQFPRBHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20N2O/c1-4-5-7-11(2,3)8-6-10-9-12/h9H,4-8H2,1-3H3/p+1.
What are the key properties of butyl-(2-formamidoethyl)-dimethylazanium?
butyl-(2-formamidoethyl)-dimethylazanium has a molecular weight of 173.28 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-formamidoethyl)-dimethylazanium is sourced from PubChem (CID 20802451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).