triethyl(2-nitrosopropyl)azanium

C9H21N2O+ — CID 91505361

IUPACtriethyl(2-nitrosopropyl)azanium
SMILESCC[N+](CC)(CC)CC(C)N=O
InChIInChI=1S/C9H21N2O/c1-5-11(6-2,7-3)8-9(4)10-12/h9H,5-8H2,1-4H3/q+1
InChIKeyUPLMFBPMGNFFOK-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.02
Rot. Bonds6

About triethyl(2-nitrosopropyl)azanium

triethyl(2-nitrosopropyl)azanium (PubChem CID 91505361) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is triethyl(2-nitrosopropyl)azanium.

Molecular Properties

Compound Nametriethyl(2-nitrosopropyl)azanium
PubChem CID91505361
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Nametriethyl(2-nitrosopropyl)azanium
SMILESCC[N+](CC)(CC)CC(C)N=O
InChIInChI=1S/C9H21N2O/c1-5-11(6-2,7-3)8-9(4)10-12/h9H,5-8H2,1-4H3/q+1
InChIKeyUPLMFBPMGNFFOK-UHFFFAOYSA-N
XLogP2.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dinitrosohexane
CID 54503397
triethyl-(2-methyl-3-oxopropyl)azanium
CID 89178971
diethyl-bis(2-methylpropyl)azanium;hafnium
CID 174652205
(2-amino-2-chloroethyl)-triethylazanium
CID 57223153
2-nitroso-N-propan-2-ylpropan-1-amine
CID 22213580
N-methyl-3-nitrosobutan-1-amine
CID 88885993
O-(2-nitrosopropyl)hydroxylamine
CID 121258212
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943537
2-aminopropanoic acid;tetraethylazanium
CID 175034793
7,7-dimethyloctanoic acid;triethyl(2-hydroxypropyl)azanium
CID 174894299

Frequently Asked Questions

What is the IUPAC name of triethyl(2-nitrosopropyl)azanium?
The IUPAC name of triethyl(2-nitrosopropyl)azanium (CID 91505361) is triethyl(2-nitrosopropyl)azanium.
What is the SMILES notation for triethyl(2-nitrosopropyl)azanium?
The canonical SMILES for triethyl(2-nitrosopropyl)azanium is CC[N+](CC)(CC)CC(C)N=O.
What is the InChIKey of triethyl(2-nitrosopropyl)azanium?
The InChIKey is UPLMFBPMGNFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O/c1-5-11(6-2,7-3)8-9(4)10-12/h9H,5-8H2,1-4H3/q+1.
What are the key properties of triethyl(2-nitrosopropyl)azanium?
triethyl(2-nitrosopropyl)azanium has a molecular weight of 173.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-nitrosopropyl)azanium is sourced from PubChem (CID 91505361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).