trimethyl(1-nitrosohexan-3-yl)azanium

C9H21N2O+ — CID 91385086

IUPACtrimethyl(1-nitrosohexan-3-yl)azanium
SMILESCCCC(CCN=O)[N+](C)(C)C
InChIInChI=1S/C9H21N2O/c1-5-6-9(7-8-10-12)11(2,3)4/h9H,5-8H2,1-4H3/q+1
InChIKeyQNSKNNPKLKYAMH-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.02
Rot. Bonds6

About trimethyl(1-nitrosohexan-3-yl)azanium

trimethyl(1-nitrosohexan-3-yl)azanium (PubChem CID 91385086) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is trimethyl(1-nitrosohexan-3-yl)azanium.

Molecular Properties

Compound Nametrimethyl(1-nitrosohexan-3-yl)azanium
PubChem CID91385086
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Nametrimethyl(1-nitrosohexan-3-yl)azanium
SMILESCCCC(CCN=O)[N+](C)(C)C
InChIInChI=1S/C9H21N2O/c1-5-6-9(7-8-10-12)11(2,3)4/h9H,5-8H2,1-4H3/q+1
InChIKeyQNSKNNPKLKYAMH-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

trimethyl-[1-(trimethylazaniumyl)hexan-3-yl]azanium dichloride
CID 87755334
(3R)-1,3-dinitrosohexane
CID 129091657
1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
CID 174688160
trimethyl(nonan-5-yl)azanium
CID 14113823
decan-5-yl(trimethyl)azanium
CID 71390285
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
4-ethyl-1-nitrosoundecane
CID 137474981
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
ethane;1-nitrosobutane;pentane
CID 144748325
tetra(octan-4-yl)azanium fluoride
CID 87832016
azane;1-nitrosopentane
CID 174758116
9,9-dihydroxydecan-5-yl(trimethyl)azanium
CID 141455394

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-nitrosohexan-3-yl)azanium?
The IUPAC name of trimethyl(1-nitrosohexan-3-yl)azanium (CID 91385086) is trimethyl(1-nitrosohexan-3-yl)azanium.
What is the SMILES notation for trimethyl(1-nitrosohexan-3-yl)azanium?
The canonical SMILES for trimethyl(1-nitrosohexan-3-yl)azanium is CCCC(CCN=O)[N+](C)(C)C.
What is the InChIKey of trimethyl(1-nitrosohexan-3-yl)azanium?
The InChIKey is QNSKNNPKLKYAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O/c1-5-6-9(7-8-10-12)11(2,3)4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of trimethyl(1-nitrosohexan-3-yl)azanium?
trimethyl(1-nitrosohexan-3-yl)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 trimethyl(1-nitrosohexan-3-yl)azanium is sourced from PubChem (CID 91385086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).