N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine

C8H22N4 — CID 25378

IUPACN'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
SMILESNCCCNCCNCCCN
InChIInChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
InChIKeyRXFCIXRFAJRBSG-UHFFFAOYSA-N
MW174.29 g/mol
LogP-1.14
Rot. Bonds9

About N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine

N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine (PubChem CID 25378) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
PubChem CID25378
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC NameN'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
SMILESNCCCNCCNCCCN
InChIInChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
InChIKeyRXFCIXRFAJRBSG-UHFFFAOYSA-N
XLogP-1.14
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine (CID 25378) is N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine is NCCCNCCNCCCN.
What is the InChIKey of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine?
The InChIKey is RXFCIXRFAJRBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2.
What are the key properties of N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine?
N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine has a molecular weight of 174.29 g/mol, XLogP of -1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 25378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).