ethyl-dimethyl-(4-nitrosobutyl)azanium

C8H19N2O+ — CID 178081019

IUPACethyl-dimethyl-(4-nitrosobutyl)azanium
SMILESCC[N+](C)(C)CCCCN=O
InChIInChI=1S/C8H19N2O/c1-4-10(2,3)8-6-5-7-9-11/h4-8H2,1-3H3/q+1
InChIKeyQYQYQLHEJYFARX-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.63
Rot. Bonds6

About ethyl-dimethyl-(4-nitrosobutyl)azanium

ethyl-dimethyl-(4-nitrosobutyl)azanium (PubChem CID 178081019) has the molecular formula C8H19N2O+ and a molecular weight of 159.25 g/mol. Its IUPAC name is ethyl-dimethyl-(4-nitrosobutyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(4-nitrosobutyl)azanium
PubChem CID178081019
Molecular FormulaC8H19N2O+
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC Nameethyl-dimethyl-(4-nitrosobutyl)azanium
SMILESCC[N+](C)(C)CCCCN=O
InChIInChI=1S/C8H19N2O/c1-4-10(2,3)8-6-5-7-9-11/h4-8H2,1-3H3/q+1
InChIKeyQYQYQLHEJYFARX-UHFFFAOYSA-N
XLogP1.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 ethyl-dimethyl-(4-nitrosobutyl)azanium?
The IUPAC name of ethyl-dimethyl-(4-nitrosobutyl)azanium (CID 178081019) is ethyl-dimethyl-(4-nitrosobutyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(4-nitrosobutyl)azanium?
The canonical SMILES for ethyl-dimethyl-(4-nitrosobutyl)azanium is CC[N+](C)(C)CCCCN=O.
What is the InChIKey of ethyl-dimethyl-(4-nitrosobutyl)azanium?
The InChIKey is QYQYQLHEJYFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O/c1-4-10(2,3)8-6-5-7-9-11/h4-8H2,1-3H3/q+1.
What are the key properties of ethyl-dimethyl-(4-nitrosobutyl)azanium?
ethyl-dimethyl-(4-nitrosobutyl)azanium has a molecular weight of 159.25 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(4-nitrosobutyl)azanium is sourced from PubChem (CID 178081019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).