2,3-dimethylpentadecan-2-amine;sulfuric acid

C17H39NO4S — CID 87406100

IUPAC2,3-dimethylpentadecan-2-amine;sulfuric acid
SMILESCCCCCCCCCCCCC(C)C(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C17H37N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2)17(3,4)18;1-5(2,3)4/h16H,5-15,18H2,1-4H3;(H2,1,2,3,4)
InChIKeyWGBYTNUTCOFHDP-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.02
Rot. Bonds12

About 2,3-dimethylpentadecan-2-amine;sulfuric acid

2,3-dimethylpentadecan-2-amine;sulfuric acid (PubChem CID 87406100) has the molecular formula C17H39NO4S and a molecular weight of 353.57 g/mol. Its IUPAC name is 2,3-dimethylpentadecan-2-amine;sulfuric acid.

Molecular Properties

Compound Name2,3-dimethylpentadecan-2-amine;sulfuric acid
PubChem CID87406100
Molecular FormulaC17H39NO4S
Molecular Weight353.57 g/mol
Exact Mass353.26
IUPAC Name2,3-dimethylpentadecan-2-amine;sulfuric acid
SMILESCCCCCCCCCCCCC(C)C(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C17H37N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2)17(3,4)18;1-5(2,3)4/h16H,5-15,18H2,1-4H3;(H2,1,2,3,4)
InChIKeyWGBYTNUTCOFHDP-UHFFFAOYSA-N
XLogP5.02
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.02
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 2,3-dimethylpentadecan-2-amine;sulfuric acid?
The IUPAC name of 2,3-dimethylpentadecan-2-amine;sulfuric acid (CID 87406100) is 2,3-dimethylpentadecan-2-amine;sulfuric acid.
What is the SMILES notation for 2,3-dimethylpentadecan-2-amine;sulfuric acid?
The canonical SMILES for 2,3-dimethylpentadecan-2-amine;sulfuric acid is CCCCCCCCCCCCC(C)C(C)(C)N.O=S(=O)(O)O.
What is the InChIKey of 2,3-dimethylpentadecan-2-amine;sulfuric acid?
The InChIKey is WGBYTNUTCOFHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2)17(3,4)18;1-5(2,3)4/h16H,5-15,18H2,1-4H3;(H2,1,2,3,4).
What are the key properties of 2,3-dimethylpentadecan-2-amine;sulfuric acid?
2,3-dimethylpentadecan-2-amine;sulfuric acid has a molecular weight of 353.57 g/mol, XLogP of 5.02, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentadecan-2-amine;sulfuric acid is sourced from PubChem (CID 87406100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).