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

C7H21N3O4S — CID 157082496

IUPACN'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
SMILESNCCCCNCCCN.O=S(=O)(O)O
InChIInChI=1S/C7H19N3.H2O4S/c8-4-1-2-6-10-7-3-5-9;1-5(2,3)4/h10H,1-9H2;(H2,1,2,3,4)
InChIKeyADSCVTTVEQPNNW-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.99
Rot. Bonds7

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

N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid (PubChem CID 157082496) has the molecular formula C7H21N3O4S and a molecular weight of 243.33 g/mol. Its IUPAC name is N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid.

Molecular Properties

Compound NameN'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
PubChem CID157082496
Molecular FormulaC7H21N3O4S
Molecular Weight243.33 g/mol
Exact Mass243.13
IUPAC NameN'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
SMILESNCCCCNCCCN.O=S(=O)(O)O
InChIInChI=1S/C7H19N3.H2O4S/c8-4-1-2-6-10-7-3-5-9;1-5(2,3)4/h10H,1-9H2;(H2,1,2,3,4)
InChIKeyADSCVTTVEQPNNW-UHFFFAOYSA-N
XLogP-0.99
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
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'}

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Related Compounds

N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
CID 175486364
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
2-(3-aminopropylamino)ethanesulfonic acid;azane
CID 174955482
3-(17-aminoheptadecylamino)propane-1-sulfonic acid
CID 88797991
4-(17-aminoheptadecylamino)butane-1-sulfonic acid
CID 21316228
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
The IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid (CID 157082496) is N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid.
What is the SMILES notation for N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
The canonical SMILES for N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid is NCCCCNCCCN.O=S(=O)(O)O.
What is the InChIKey of N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
The InChIKey is ADSCVTTVEQPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.H2O4S/c8-4-1-2-6-10-7-3-5-9;1-5(2,3)4/h10H,1-9H2;(H2,1,2,3,4).
What are the key properties of N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid?
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid has a molecular weight of 243.33 g/mol, XLogP of -0.99, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid is sourced from PubChem (CID 157082496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).