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

C24H59N9 — CID 22916506

IUPACN'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
SMILESNCCCNCCCNCCCNCCCNCCCNCCCNCCCNCCCN
InChIInChI=1S/C24H59N9/c25-9-1-11-27-13-3-15-29-17-5-19-31-21-7-23-33-24-8-22-32-20-6-18-30-16-4-14-28-12-2-10-26/h27-33H,1-26H2
InChIKeyINASXOLAHGDTFV-UHFFFAOYSA-N
MW473.80 g/mol
LogP-0.85
Rot. Bonds30

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

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine (PubChem CID 22916506) has the molecular formula C24H59N9 and a molecular weight of 473.80 g/mol. Its IUPAC name is N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
PubChem CID22916506
Molecular FormulaC24H59N9
Molecular Weight473.80 g/mol
Exact Mass473.49
IUPAC NameN'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
SMILESNCCCNCCCNCCCNCCCNCCCNCCCNCCCNCCCN
InChIInChI=1S/C24H59N9/c25-9-1-11-27-13-3-15-29-17-5-19-31-21-7-23-33-24-8-22-32-20-6-18-30-16-4-14-28-12-2-10-26/h27-33H,1-26H2
InChIKeyINASXOLAHGDTFV-UHFFFAOYSA-N
XLogP-0.85
TPSA136.25 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.80
LogP ≤ 5-0.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine with MolForge

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Related Compounds

N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
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
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
N-(3-aminopropyl)-N'-chlorobutane-1,4-diamine
CID 141005040

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine (CID 22916506) is N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine is NCCCNCCCNCCCNCCCNCCCNCCCNCCCNCCCN.
What is the InChIKey of N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine?
The InChIKey is INASXOLAHGDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H59N9/c25-9-1-11-27-13-3-15-29-17-5-19-31-21-7-23-33-24-8-22-32-20-6-18-30-16-4-14-28-12-2-10-26/h27-33H,1-26H2.
What are the key properties of N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine?
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine has a molecular weight of 473.80 g/mol, XLogP of -0.85, 30 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 22916506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).