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

C13H33N4+ — CID 23598314

IUPAC3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCNCCCCNCCCN
InChIInChI=1S/C13H33N4/c1-17(2,3)13-7-12-16-10-5-4-9-15-11-6-8-14/h15-16H,4-14H2,1-3H3/q+1
InChIKeySEUVXIOBPQFMAI-UHFFFAOYSA-N
MW245.43 g/mol
LogP0.39
Rot. Bonds12

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

3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium (PubChem CID 23598314) has the molecular formula C13H33N4+ and a molecular weight of 245.43 g/mol. Its IUPAC name is 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium
PubChem CID23598314
Molecular FormulaC13H33N4+
Molecular Weight245.43 g/mol
Exact Mass245.27
IUPAC Name3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCNCCCCNCCCN
InChIInChI=1S/C13H33N4/c1-17(2,3)13-7-12-16-10-5-4-9-15-11-6-8-14/h15-16H,4-14H2,1-3H3/q+1
InChIKeySEUVXIOBPQFMAI-UHFFFAOYSA-N
XLogP0.39
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', '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
3-(dodecylamino)propyl-trimethylazanium chloride
CID 166791709
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
3-aminopropyl(trimethyl)azanium;hydrochloride
CID 173485800
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
trimethyl-[3-(propylamino)propyl]azanium chloride
CID 172796424
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
17-aminoheptadecyl(trimethyl)azanium
CID 155769924
19-aminononadecyl(trimethyl)azanium
CID 155769982
14-aminotetradecyl(trimethyl)azanium
CID 155769967

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium?
The IUPAC name of 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium (CID 23598314) is 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium.
What is the SMILES notation for 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium?
The canonical SMILES for 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium is C[N+](C)(C)CCCNCCCCNCCCN.
What is the InChIKey of 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium?
The InChIKey is SEUVXIOBPQFMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N4/c1-17(2,3)13-7-12-16-10-5-4-9-15-11-6-8-14/h15-16H,4-14H2,1-3H3/q+1.
What are the key properties of 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium?
3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium has a molecular weight of 245.43 g/mol, XLogP of 0.39, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium is sourced from PubChem (CID 23598314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).