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

C9H24N4O — CID 91238288

IUPACN'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine
SMILESNCCCNCCCONCCCN
InChIInChI=1S/C9H24N4O/c10-4-1-6-12-7-3-9-14-13-8-2-5-11/h12-13H,1-11H2
InChIKeyAXPBBZFZJZYGTJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP-0.82
Rot. Bonds11

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

N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine (PubChem CID 91238288) has the molecular formula C9H24N4O and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine
PubChem CID91238288
Molecular FormulaC9H24N4O
Molecular Weight204.32 g/mol
Exact Mass204.20
IUPAC NameN'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine
SMILESNCCCNCCCONCCCN
InChIInChI=1S/C9H24N4O/c10-4-1-6-12-7-3-9-14-13-8-2-5-11/h12-13H,1-11H2
InChIKeyAXPBBZFZJZYGTJ-UHFFFAOYSA-N
XLogP-0.82
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine (CID 91238288) is N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine is NCCCNCCCONCCCN.
What is the InChIKey of N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine?
The InChIKey is AXPBBZFZJZYGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O/c10-4-1-6-12-7-3-9-14-13-8-2-5-11/h12-13H,1-11H2.
What are the key properties of N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine?
N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of -0.82, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-aminopropylamino)oxypropyl]propane-1,3-diamine is sourced from PubChem (CID 91238288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).