bis(nonan-1-amine);sulfuric acid

C18H44N2O4S — CID 3055201

IUPACbis(nonan-1-amine);sulfuric acid
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)
InChIKeyQUXPZHDHQJREMK-UHFFFAOYSA-N
MW384.63 g/mol
LogP4.74
Rot. Bonds14

About bis(nonan-1-amine);sulfuric acid

bis(nonan-1-amine);sulfuric acid (PubChem CID 3055201) has the molecular formula C18H44N2O4S and a molecular weight of 384.63 g/mol. Its IUPAC name is bis(nonan-1-amine);sulfuric acid.

Molecular Properties

Compound Namebis(nonan-1-amine);sulfuric acid
PubChem CID3055201
Molecular FormulaC18H44N2O4S
Molecular Weight384.63 g/mol
Exact Mass384.30
IUPAC Namebis(nonan-1-amine);sulfuric acid
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)
InChIKeyQUXPZHDHQJREMK-UHFFFAOYSA-N
XLogP4.74
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;dodecan-1-amine;sulfuric acid
CID 173110292
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
sulfuric acid;tridecane
CID 91872702
bis(nonan-1-amine);sulfate
CID 21153128
methyl hydrogen sulfate;pentan-1-amine
CID 173267345
dodecan-1-amine;hydroxylamine
CID 175960605
sodium;sulfuric acid;tetradecane
CID 170922474
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of bis(nonan-1-amine);sulfuric acid?
The IUPAC name of bis(nonan-1-amine);sulfuric acid (CID 3055201) is bis(nonan-1-amine);sulfuric acid.
What is the SMILES notation for bis(nonan-1-amine);sulfuric acid?
The canonical SMILES for bis(nonan-1-amine);sulfuric acid is CCCCCCCCCN.CCCCCCCCCN.O=S(=O)(O)O.
What is the InChIKey of bis(nonan-1-amine);sulfuric acid?
The InChIKey is QUXPZHDHQJREMK-UHFFFAOYSA-N. 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).
What are the key properties of bis(nonan-1-amine);sulfuric acid?
bis(nonan-1-amine);sulfuric acid has a molecular weight of 384.63 g/mol, XLogP of 4.74, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nonan-1-amine);sulfuric acid is sourced from PubChem (CID 3055201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).