octadecan-1-amine;sulfuric acid

C18H41NO4S — CID 3014313

IUPACoctadecan-1-amine;sulfuric acid
SMILESCCCCCCCCCCCCCCCCCCN.O=S(=O)(O)O
InChIInChI=1S/C18H39N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h2-19H2,1H3;(H2,1,2,3,4)
InChIKeyINHNQBQIGOOEGY-UHFFFAOYSA-N
MW367.60 g/mol
LogP5.55
Rot. Bonds16

About octadecan-1-amine;sulfuric acid

octadecan-1-amine;sulfuric acid (PubChem CID 3014313) has the molecular formula C18H41NO4S and a molecular weight of 367.60 g/mol. Its IUPAC name is octadecan-1-amine;sulfuric acid.

Molecular Properties

Compound Nameoctadecan-1-amine;sulfuric acid
PubChem CID3014313
Molecular FormulaC18H41NO4S
Molecular Weight367.60 g/mol
Exact Mass367.28
IUPAC Nameoctadecan-1-amine;sulfuric acid
SMILESCCCCCCCCCCCCCCCCCCN.O=S(=O)(O)O
InChIInChI=1S/C18H39N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h2-19H2,1H3;(H2,1,2,3,4)
InChIKeyINHNQBQIGOOEGY-UHFFFAOYSA-N
XLogP5.55
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of octadecan-1-amine;sulfuric acid?
The IUPAC name of octadecan-1-amine;sulfuric acid (CID 3014313) is octadecan-1-amine;sulfuric acid.
What is the SMILES notation for octadecan-1-amine;sulfuric acid?
The canonical SMILES for octadecan-1-amine;sulfuric acid is CCCCCCCCCCCCCCCCCCN.O=S(=O)(O)O.
What is the InChIKey of octadecan-1-amine;sulfuric acid?
The InChIKey is INHNQBQIGOOEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h2-19H2,1H3;(H2,1,2,3,4).
What are the key properties of octadecan-1-amine;sulfuric acid?
octadecan-1-amine;sulfuric acid has a molecular weight of 367.60 g/mol, XLogP of 5.55, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-amine;sulfuric acid is sourced from PubChem (CID 3014313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).