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

C12H30N4O — CID 14585928

IUPACN'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine
SMILESNCCCNCCCOCCCNCCCN
InChIInChI=1S/C12H30N4O/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-16H,1-14H2
InChIKeyBTUFYXMGUJUUPJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP-0.34
Rot. Bonds14

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

N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine (PubChem CID 14585928) has the molecular formula C12H30N4O and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine
PubChem CID14585928
Molecular FormulaC12H30N4O
Molecular Weight246.40 g/mol
Exact Mass246.24
IUPAC NameN'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine
SMILESNCCCNCCCOCCCNCCCN
InChIInChI=1S/C12H30N4O/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-16H,1-14H2
InChIKeyBTUFYXMGUJUUPJ-UHFFFAOYSA-N
XLogP-0.34
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 5-0.34
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?
The IUPAC name of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine (CID 14585928) is N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine is NCCCNCCCOCCCNCCCN.
What is the InChIKey of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine?
The InChIKey is BTUFYXMGUJUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4O/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-16H,1-14H2.
What are the key properties of N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine?
N'-[3-[3-(3-aminopropylamino)propoxy]propyl]propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of -0.34, 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 is sourced from PubChem (CID 14585928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).