N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride

C12H34Cl4N4O — CID 14585929

IUPACN'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCCNCCCOCCCNCCCN
InChIInChI=1S/C12H30N4O.4ClH/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14;;;;/h15-16H,1-14H2;4*1H
InChIKeyXZLRIUNGKLKXNT-UHFFFAOYSA-N
MW392.24 g/mol
LogP1.35
Rot. Bonds14

About N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride

N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride (PubChem CID 14585929) has the molecular formula C12H34Cl4N4O and a molecular weight of 392.24 g/mol. Its IUPAC name is N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride.

Molecular Properties

Compound NameN'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride
PubChem CID14585929
Molecular FormulaC12H34Cl4N4O
Molecular Weight392.24 g/mol
Exact Mass390.15
IUPAC NameN'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCCNCCCOCCCNCCCN
InChIInChI=1S/C12H30N4O.4ClH/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14;;;;/h15-16H,1-14H2;4*1H
InChIKeyXZLRIUNGKLKXNT-UHFFFAOYSA-N
XLogP1.35
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride?
The IUPAC name of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride (CID 14585929) is N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride.
What is the SMILES notation for N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride?
The canonical SMILES for N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride is Cl.Cl.Cl.Cl.NCCCNCCCOCCCNCCCN.
What is the InChIKey of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride?
The InChIKey is XZLRIUNGKLKXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4O.4ClH/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14;;;;/h15-16H,1-14H2;4*1H.
What are the key properties of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride?
N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride has a molecular weight of 392.24 g/mol, XLogP of 1.35, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine;tetrahydrochloride is sourced from PubChem (CID 14585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).