N-pentylpentan-1-amine;sulfuric acid

C10H25NO4S — CID 71366163

IUPACN-pentylpentan-1-amine;sulfuric acid
SMILESCCCCCNCCCCC.O=S(=O)(O)O
InChIInChI=1S/C10H23N.H2O4S/c1-3-5-7-9-11-10-8-6-4-2;1-5(2,3)4/h11H,3-10H2,1-2H3;(H2,1,2,3,4)
InChIKeyUYOZJBDIXIOJFQ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.30
Rot. Bonds8

About N-pentylpentan-1-amine;sulfuric acid

N-pentylpentan-1-amine;sulfuric acid (PubChem CID 71366163) has the molecular formula C10H25NO4S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-pentylpentan-1-amine;sulfuric acid.

Molecular Properties

Compound NameN-pentylpentan-1-amine;sulfuric acid
PubChem CID71366163
Molecular FormulaC10H25NO4S
Molecular Weight255.38 g/mol
Exact Mass255.15
IUPAC NameN-pentylpentan-1-amine;sulfuric acid
SMILESCCCCCNCCCCC.O=S(=O)(O)O
InChIInChI=1S/C10H23N.H2O4S/c1-3-5-7-9-11-10-8-6-4-2;1-5(2,3)4/h11H,3-10H2,1-2H3;(H2,1,2,3,4)
InChIKeyUYOZJBDIXIOJFQ-UHFFFAOYSA-N
XLogP2.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.30
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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Related Compounds

Tributylammoniumhydrogensulfat
CID 129651645
1-Methylpiperidinium hydrogensulfate
CID 134716141
N,N-dimethylbutylammonium hydrogen sulfate
CID 145707122
Trioctylammonium hydrogen sulfate
CID 145736973
Tripropylammonium hydrogen sulfate
CID 166451169
N,N-dimethyloctylammonium hydrogen sulfate
CID 171115243
N-butylbutan-1-amine;sulfuric acid
CID 12998340
Dibutylammonium hydrogen sulphate
CID 16206025
Dibutylazanium;hydron;sulfate
CID 57494691
N-hexadecyloctadecan-1-amine;sulfuric acid
CID 230682
N,N-dimethylhexylammonium bisulfate
CID 132279981
Di-n-propylammonium hydrogen sulfate
CID 146001277

Frequently Asked Questions

What is the IUPAC name of N-pentylpentan-1-amine;sulfuric acid?
The IUPAC name of N-pentylpentan-1-amine;sulfuric acid (CID 71366163) is N-pentylpentan-1-amine;sulfuric acid.
What is the SMILES notation for N-pentylpentan-1-amine;sulfuric acid?
The canonical SMILES for N-pentylpentan-1-amine;sulfuric acid is CCCCCNCCCCC.O=S(=O)(O)O.
What is the InChIKey of N-pentylpentan-1-amine;sulfuric acid?
The InChIKey is UYOZJBDIXIOJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.H2O4S/c1-3-5-7-9-11-10-8-6-4-2;1-5(2,3)4/h11H,3-10H2,1-2H3;(H2,1,2,3,4).
What are the key properties of N-pentylpentan-1-amine;sulfuric acid?
N-pentylpentan-1-amine;sulfuric acid has a molecular weight of 255.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpentan-1-amine;sulfuric acid is sourced from PubChem (CID 71366163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).