N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid

C10H28N4O4S — CID 23320276

IUPACN,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid
SMILESNCCCNCCCCNCCCN.O=S(=O)(O)O
InChIInChI=1S/C10H26N4.H2O4S/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-5(2,3)4/h13-14H,1-12H2;(H2,1,2,3,4)
InChIKeyCJCOPMXMGRSIHO-UHFFFAOYSA-N
MW300.43 g/mol
LogP-1.01
Rot. Bonds11

About N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid

N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid (PubChem CID 23320276) has the molecular formula C10H28N4O4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid
PubChem CID23320276
Molecular FormulaC10H28N4O4S
Molecular Weight300.43 g/mol
Exact Mass300.18
IUPAC NameN,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid
SMILESNCCCNCCCCNCCCN.O=S(=O)(O)O
InChIInChI=1S/C10H26N4.H2O4S/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-5(2,3)4/h13-14H,1-12H2;(H2,1,2,3,4)
InChIKeyCJCOPMXMGRSIHO-UHFFFAOYSA-N
XLogP-1.01
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 5-1.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
The IUPAC name of N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid (CID 23320276) is N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid.
What is the SMILES notation for N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
The canonical SMILES for N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid is NCCCNCCCCNCCCN.O=S(=O)(O)O.
What is the InChIKey of N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
The InChIKey is CJCOPMXMGRSIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4.H2O4S/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;1-5(2,3)4/h13-14H,1-12H2;(H2,1,2,3,4).
What are the key properties of N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid has a molecular weight of 300.43 g/mol, XLogP of -1.01, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)butane-1,4-diamine;sulfuric acid is sourced from PubChem (CID 23320276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).