(7-azaniumyl-2-hydroxyheptan-3-yl)azanium

C7H20N2O+2 — CID 163920035

IUPAC(7-azaniumyl-2-hydroxyheptan-3-yl)azanium
SMILESCC(O)C([NH3+])CCCC[NH3+]
InChIInChI=1S/C7H18N2O/c1-6(10)7(9)4-2-3-5-8/h6-7,10H,2-5,8-9H2,1H3/p+2
InChIKeyQZQFEIRCIKHNLI-UHFFFAOYSA-P
MW148.25 g/mol
LogP-1.61
Rot. Bonds5

About (7-azaniumyl-2-hydroxyheptan-3-yl)azanium

(7-azaniumyl-2-hydroxyheptan-3-yl)azanium (PubChem CID 163920035) has the molecular formula C7H20N2O+2 and a molecular weight of 148.25 g/mol. Its IUPAC name is (7-azaniumyl-2-hydroxyheptan-3-yl)azanium.

Molecular Properties

Compound Name(7-azaniumyl-2-hydroxyheptan-3-yl)azanium
PubChem CID163920035
Molecular FormulaC7H20N2O+2
Molecular Weight148.25 g/mol
Exact Mass148.16
IUPAC Name(7-azaniumyl-2-hydroxyheptan-3-yl)azanium
SMILESCC(O)C([NH3+])CCCC[NH3+]
InChIInChI=1S/C7H18N2O/c1-6(10)7(9)4-2-3-5-8/h6-7,10H,2-5,8-9H2,1H3/p+2
InChIKeyQZQFEIRCIKHNLI-UHFFFAOYSA-P
XLogP-1.61
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

21,21-dihydroxyhenicosylazanium chloride
CID 139822452
6-azaniumyl-2-methylhexanoate
CID 58988616
4-methylpentylazanium
CID 22348722
4,4-dihydroxybutylazanium bromide
CID 139637636
3-hydroxybutan-2-ylazanium
CID 74652589
dec-9-ene-2,3-diol
CID 107008756
1-aminoethylidene(5-methylhexyl)azanium;5-methylhexylazanium
CID 159027387
dodecylazanium;2-hydroxypropanoate
CID 53471559
[(2S,3R)-3-hydroxynonadecan-2-yl]azanium
CID 58743334
hexylazanium;16-methylheptadecanoate
CID 154824431
3-(methylamino)octan-2-ol
CID 166770320
[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride
CID 158390492

Frequently Asked Questions

What is the IUPAC name of (7-azaniumyl-2-hydroxyheptan-3-yl)azanium?
The IUPAC name of (7-azaniumyl-2-hydroxyheptan-3-yl)azanium (CID 163920035) is (7-azaniumyl-2-hydroxyheptan-3-yl)azanium.
What is the SMILES notation for (7-azaniumyl-2-hydroxyheptan-3-yl)azanium?
The canonical SMILES for (7-azaniumyl-2-hydroxyheptan-3-yl)azanium is CC(O)C([NH3+])CCCC[NH3+].
What is the InChIKey of (7-azaniumyl-2-hydroxyheptan-3-yl)azanium?
The InChIKey is QZQFEIRCIKHNLI-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H18N2O/c1-6(10)7(9)4-2-3-5-8/h6-7,10H,2-5,8-9H2,1H3/p+2.
What are the key properties of (7-azaniumyl-2-hydroxyheptan-3-yl)azanium?
(7-azaniumyl-2-hydroxyheptan-3-yl)azanium has a molecular weight of 148.25 g/mol, XLogP of -1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-azaniumyl-2-hydroxyheptan-3-yl)azanium is sourced from PubChem (CID 163920035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).