azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate

C10H26N2O4S — CID 174502970

IUPACazane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate
SMILESCCCCCNCC(C)(C)OS(=O)(=O)OC.N
InChIInChI=1S/C10H23NO4S.H3N/c1-5-6-7-8-11-9-10(2,3)15-16(12,13)14-4;/h11H,5-9H2,1-4H3;1H3
InChIKeyZYMJLUGACPYLMD-UHFFFAOYSA-N
MW270.39 g/mol
LogP1.61
Rot. Bonds9

About azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate

azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate (PubChem CID 174502970) has the molecular formula C10H26N2O4S and a molecular weight of 270.39 g/mol. Its IUPAC name is azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate.

Molecular Properties

Compound Nameazane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate
PubChem CID174502970
Molecular FormulaC10H26N2O4S
Molecular Weight270.39 g/mol
Exact Mass270.16
IUPAC Nameazane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate
SMILESCCCCCNCC(C)(C)OS(=O)(=O)OC.N
InChIInChI=1S/C10H23NO4S.H3N/c1-5-6-7-8-11-9-10(2,3)15-16(12,13)14-4;/h11H,5-9H2,1-4H3;1H3
InChIKeyZYMJLUGACPYLMD-UHFFFAOYSA-N
XLogP1.61
TPSA99.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate
CID 174502971
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3-(dodecylamino)-2,2-dimethylpropanal
CID 15555434
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
azane;methyl octadecyl sulfate
CID 89401609
azane;methyl 9-octylheptadecane-9-sulfonate
CID 87488633
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2-(tetradecylamino)ethane-1,1,1-triol
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N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651

Frequently Asked Questions

What is the IUPAC name of azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate?
The IUPAC name of azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate (CID 174502970) is azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate.
What is the SMILES notation for azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate?
The canonical SMILES for azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate is CCCCCNCC(C)(C)OS(=O)(=O)OC.N.
What is the InChIKey of azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate?
The InChIKey is ZYMJLUGACPYLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S.H3N/c1-5-6-7-8-11-9-10(2,3)15-16(12,13)14-4;/h11H,5-9H2,1-4H3;1H3.
What are the key properties of azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate?
azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate has a molecular weight of 270.39 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl [2-methyl-1-(pentylamino)propan-2-yl] sulfate is sourced from PubChem (CID 174502970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).