azane;1-propan-2-yloxydodecane;sulfuric acid

C15H40N2O5S — CID 175080413

IUPACazane;1-propan-2-yloxydodecane;sulfuric acid
SMILESCCCCCCCCCCCCOC(C)C.N.N.O=S(=O)(O)O
InChIInChI=1S/C15H32O.2H3N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3;;;1-5(2,3)4/h15H,4-14H2,1-3H3;2*1H3;(H2,1,2,3,4)
InChIKeyVNGKSBHVKOBFFA-UHFFFAOYSA-N
MW360.56 g/mol
LogP5.00
Rot. Bonds12

About azane;1-propan-2-yloxydodecane;sulfuric acid

azane;1-propan-2-yloxydodecane;sulfuric acid (PubChem CID 175080413) has the molecular formula C15H40N2O5S and a molecular weight of 360.56 g/mol. Its IUPAC name is azane;1-propan-2-yloxydodecane;sulfuric acid.

Molecular Properties

Compound Nameazane;1-propan-2-yloxydodecane;sulfuric acid
PubChem CID175080413
Molecular FormulaC15H40N2O5S
Molecular Weight360.56 g/mol
Exact Mass360.27
IUPAC Nameazane;1-propan-2-yloxydodecane;sulfuric acid
SMILESCCCCCCCCCCCCOC(C)C.N.N.O=S(=O)(O)O
InChIInChI=1S/C15H32O.2H3N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3;;;1-5(2,3)4/h15H,4-14H2,1-3H3;2*1H3;(H2,1,2,3,4)
InChIKeyVNGKSBHVKOBFFA-UHFFFAOYSA-N
XLogP5.00
TPSA153.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.56
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze azane;1-propan-2-yloxydodecane;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
azane;sulfuric acid;1-undecoxyundecane
CID 174702560
1-pentoxyethanesulfonic acid
CID 174976726
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
1-dodecoxyethyl hydrogen sulfate
CID 20975887
azane;1-tetradecoxyoctane-1-sulfonic acid
CID 175528792
heptane;propan-2-ol;sulfuric acid
CID 87329461
sulfuric acid;tridecane
CID 91872702
1,6-di(propan-2-yloxy)hexane
CID 10899702
2-dodecoxy-2-hydroxyethanesulfonic acid
CID 141033814
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476

Frequently Asked Questions

What is the IUPAC name of azane;1-propan-2-yloxydodecane;sulfuric acid?
The IUPAC name of azane;1-propan-2-yloxydodecane;sulfuric acid (CID 175080413) is azane;1-propan-2-yloxydodecane;sulfuric acid.
What is the SMILES notation for azane;1-propan-2-yloxydodecane;sulfuric acid?
The canonical SMILES for azane;1-propan-2-yloxydodecane;sulfuric acid is CCCCCCCCCCCCOC(C)C.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;1-propan-2-yloxydodecane;sulfuric acid?
The InChIKey is VNGKSBHVKOBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O.2H3N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3;;;1-5(2,3)4/h15H,4-14H2,1-3H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;1-propan-2-yloxydodecane;sulfuric acid?
azane;1-propan-2-yloxydodecane;sulfuric acid has a molecular weight of 360.56 g/mol, XLogP of 5.00, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-propan-2-yloxydodecane;sulfuric acid is sourced from PubChem (CID 175080413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).