3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium

C10H26N4O — CID 141263343

IUPAC3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium
SMILESNCCCNCCCCNCCC[NH2+][O-]
InChIInChI=1S/C10H26N4O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14-15/h12-13H,1-11,14H2
InChIKeyOLDMFBYRYUMQAV-UHFFFAOYSA-N
MW218.34 g/mol
LogP-1.25
Rot. Bonds12

About 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium

3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium (PubChem CID 141263343) has the molecular formula C10H26N4O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium.

Molecular Properties

Compound Name3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium
PubChem CID141263343
Molecular FormulaC10H26N4O
Molecular Weight218.34 g/mol
Exact Mass218.21
IUPAC Name3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium
SMILESNCCCNCCCCNCCC[NH2+][O-]
InChIInChI=1S/C10H26N4O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14-15/h12-13H,1-11,14H2
InChIKeyOLDMFBYRYUMQAV-UHFFFAOYSA-N
XLogP-1.25
TPSA89.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
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
4-aminobutyl(oxido)azanium
CID 141252674
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N-(3-aminopropyl)-N'-oxidobutane-1,4-diamine
CID 167441080
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N-(3-aminopropyl)-N'-chlorobutane-1,4-diamine
CID 141005040

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium?
The IUPAC name of 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium (CID 141263343) is 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium.
What is the SMILES notation for 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium?
The canonical SMILES for 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium is NCCCNCCCCNCCC[NH2+][O-].
What is the InChIKey of 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium?
The InChIKey is OLDMFBYRYUMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14-15/h12-13H,1-11,14H2.
What are the key properties of 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium?
3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium has a molecular weight of 218.34 g/mol, XLogP of -1.25, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropylamino)butylamino]propyl-oxidoazanium is sourced from PubChem (CID 141263343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).