bis(nonan-1-amine);sulfate

C18H42N2O4S-2 — CID 21153128

IUPACbis(nonan-1-amine);sulfate
SMILESCCCCCCCCCN.CCCCCCCCCN.O=S(=O)([O-])[O-]
InChIInChI=1S/2C9H21N.H2O4S/c2*1-2-3-4-5-6-7-8-9-10;1-5(2,3)4/h2*2-10H2,1H3;(H2,1,2,3,4)/p-2
InChIKeyQUXPZHDHQJREMK-UHFFFAOYSA-L
MW382.61 g/mol
LogP4.05
Rot. Bonds14

About bis(nonan-1-amine);sulfate

bis(nonan-1-amine);sulfate (PubChem CID 21153128) has the molecular formula C18H42N2O4S-2 and a molecular weight of 382.61 g/mol. Its IUPAC name is bis(nonan-1-amine);sulfate.

Molecular Properties

Compound Namebis(nonan-1-amine);sulfate
PubChem CID21153128
Molecular FormulaC18H42N2O4S-2
Molecular Weight382.61 g/mol
Exact Mass382.29
IUPAC Namebis(nonan-1-amine);sulfate
SMILESCCCCCCCCCN.CCCCCCCCCN.O=S(=O)([O-])[O-]
InChIInChI=1S/2C9H21N.H2O4S/c2*1-2-3-4-5-6-7-8-9-10;1-5(2,3)4/h2*2-10H2,1H3;(H2,1,2,3,4)/p-2
InChIKeyQUXPZHDHQJREMK-UHFFFAOYSA-L
XLogP4.05
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis(nonan-1-amine);sulfuric acid
CID 3055201
dialuminum;bis(hexane-1,6-diamine);trisulfate
CID 173360259
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
azane;dodecan-1-amine;sulfuric acid
CID 173110292
decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
octadecan-1-amine;trihydrochloride
CID 175177898

Frequently Asked Questions

What is the IUPAC name of bis(nonan-1-amine);sulfate?
The IUPAC name of bis(nonan-1-amine);sulfate (CID 21153128) is bis(nonan-1-amine);sulfate.
What is the SMILES notation for bis(nonan-1-amine);sulfate?
The canonical SMILES for bis(nonan-1-amine);sulfate is CCCCCCCCCN.CCCCCCCCCN.O=S(=O)([O-])[O-].
What is the InChIKey of bis(nonan-1-amine);sulfate?
The InChIKey is QUXPZHDHQJREMK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H21N.H2O4S/c2*1-2-3-4-5-6-7-8-9-10;1-5(2,3)4/h2*2-10H2,1H3;(H2,1,2,3,4)/p-2.
What are the key properties of bis(nonan-1-amine);sulfate?
bis(nonan-1-amine);sulfate has a molecular weight of 382.61 g/mol, XLogP of 4.05, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nonan-1-amine);sulfate is sourced from PubChem (CID 21153128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).