pentane-1,5-diamine;sulfuric acid

C5H16N2O4S — CID 23058163

IUPACpentane-1,5-diamine;sulfuric acid
SMILESNCCCCCN.O=S(=O)(O)O
InChIInChI=1S/C5H14N2.H2O4S/c6-4-2-1-3-5-7;1-5(2,3)4/h1-7H2;(H2,1,2,3,4)
InChIKeyOACUNRCVXCMTJN-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.58
Rot. Bonds4

About pentane-1,5-diamine;sulfuric acid

pentane-1,5-diamine;sulfuric acid (PubChem CID 23058163) has the molecular formula C5H16N2O4S and a molecular weight of 200.26 g/mol. Its IUPAC name is pentane-1,5-diamine;sulfuric acid.

Molecular Properties

Compound Namepentane-1,5-diamine;sulfuric acid
PubChem CID23058163
Molecular FormulaC5H16N2O4S
Molecular Weight200.26 g/mol
Exact Mass200.08
IUPAC Namepentane-1,5-diamine;sulfuric acid
SMILESNCCCCCN.O=S(=O)(O)O
InChIInChI=1S/C5H14N2.H2O4S/c6-4-2-1-3-5-7;1-5(2,3)4/h1-7H2;(H2,1,2,3,4)
InChIKeyOACUNRCVXCMTJN-UHFFFAOYSA-N
XLogP-0.58
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

sulfuric acid, di(butylamine) salt
CID 217637
sulfuric acid, di(propylamine) salt
CID 3055952
sulfuric acid, di(pentylamine) salt
CID 3055953
sulfuric acid, di(hexylamine) salt
CID 3055958
Sulfuric acid, di(heptylamine) salt
CID 3055959
Amylammoniumsulfat
CID 87867643
Hexamethylenediammonium sulfate dihydrate
CID 129773152
Hexyl ammonium hydrogen sulphate
CID 129853787
Hexamethylenediammonium sulphate
CID 57376326
Sulfuric acid--butane-1,4-diamine (1/1)
CID 71404008
Hexan-1-amine;sulfuric acid
CID 71407562
Sulfuric acid--hexane-1,6-diamine (1/1)
CID 85769130

Frequently Asked Questions

What is the IUPAC name of pentane-1,5-diamine;sulfuric acid?
The IUPAC name of pentane-1,5-diamine;sulfuric acid (CID 23058163) is pentane-1,5-diamine;sulfuric acid.
What is the SMILES notation for pentane-1,5-diamine;sulfuric acid?
The canonical SMILES for pentane-1,5-diamine;sulfuric acid is NCCCCCN.O=S(=O)(O)O.
What is the InChIKey of pentane-1,5-diamine;sulfuric acid?
The InChIKey is OACUNRCVXCMTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.H2O4S/c6-4-2-1-3-5-7;1-5(2,3)4/h1-7H2;(H2,1,2,3,4).
What are the key properties of pentane-1,5-diamine;sulfuric acid?
pentane-1,5-diamine;sulfuric acid has a molecular weight of 200.26 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,5-diamine;sulfuric acid is sourced from PubChem (CID 23058163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).