[(3R)-nonan-3-yl]azanium

C9H22N+ — CID 140886283

IUPAC[(3R)-nonan-3-yl]azanium
SMILESCCCCCC[C@H]([NH3+])CC
InChIInChI=1S/C9H21N/c1-3-5-6-7-8-9(10)4-2/h9H,3-8,10H2,1-2H3/p+1/t9-/m1/s1
InChIKeyYRJCXPFMFZIXRI-SECBINFHSA-O
MW144.28 g/mol
LogP1.98
Rot. Bonds6

About [(3R)-nonan-3-yl]azanium

[(3R)-nonan-3-yl]azanium (PubChem CID 140886283) has the molecular formula C9H22N+ and a molecular weight of 144.28 g/mol. Its IUPAC name is [(3R)-nonan-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-nonan-3-yl]azanium
PubChem CID140886283
Molecular FormulaC9H22N+
Molecular Weight144.28 g/mol
Exact Mass144.17
IUPAC Name[(3R)-nonan-3-yl]azanium
SMILESCCCCCC[C@H]([NH3+])CC
InChIInChI=1S/C9H21N/c1-3-5-6-7-8-9(10)4-2/h9H,3-8,10H2,1-2H3/p+1/t9-/m1/s1
InChIKeyYRJCXPFMFZIXRI-SECBINFHSA-O
XLogP1.98
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

decan-3-ylazanium chloride
CID 88625887
heptatriacontan-19-ylazanium
CID 22345110
henicosan-11-ylazanium
CID 22645794
1-hydroxytricosan-11-ylazanium iodide
CID 89439401
dodecyl(dimethyl)azanium;pentacosan-13-ylazanium;dichloride
CID 142632996
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
[(2S)-heptan-2-yl]azanium
CID 6999049
12-ethylhentriacontane
CID 91805956

Frequently Asked Questions

What is the IUPAC name of [(3R)-nonan-3-yl]azanium?
The IUPAC name of [(3R)-nonan-3-yl]azanium (CID 140886283) is [(3R)-nonan-3-yl]azanium.
What is the SMILES notation for [(3R)-nonan-3-yl]azanium?
The canonical SMILES for [(3R)-nonan-3-yl]azanium is CCCCCC[C@H]([NH3+])CC.
What is the InChIKey of [(3R)-nonan-3-yl]azanium?
The InChIKey is YRJCXPFMFZIXRI-SECBINFHSA-O. The full InChI is InChI=1S/C9H21N/c1-3-5-6-7-8-9(10)4-2/h9H,3-8,10H2,1-2H3/p+1/t9-/m1/s1.
What are the key properties of [(3R)-nonan-3-yl]azanium?
[(3R)-nonan-3-yl]azanium has a molecular weight of 144.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-nonan-3-yl]azanium is sourced from PubChem (CID 140886283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).