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

C13H33N5 — CID 20647748

IUPACN'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
SMILESCNCCCNCCCNCCCNCCCN
InChIInChI=1S/C13H33N5/c1-15-7-3-9-17-11-5-13-18-12-4-10-16-8-2-6-14/h15-18H,2-14H2,1H3
InChIKeyMNWVQIXKCDXNLD-UHFFFAOYSA-N
MW259.44 g/mol
LogP-0.51
Rot. Bonds15

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

N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine (PubChem CID 20647748) has the molecular formula C13H33N5 and a molecular weight of 259.44 g/mol. Its IUPAC name is N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
PubChem CID20647748
Molecular FormulaC13H33N5
Molecular Weight259.44 g/mol
Exact Mass259.27
IUPAC NameN'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
SMILESCNCCCNCCCNCCCNCCCN
InChIInChI=1S/C13H33N5/c1-15-7-3-9-17-11-5-13-18-12-4-10-16-8-2-6-14/h15-18H,2-14H2,1H3
InChIKeyMNWVQIXKCDXNLD-UHFFFAOYSA-N
XLogP-0.51
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 5-0.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine;methane;N'-methylethane-1,2-diamine
CID 161280061
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
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
λ2-plumbane;N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 174769058
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine (CID 20647748) is N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine is CNCCCNCCCNCCCNCCCN.
What is the InChIKey of N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine?
The InChIKey is MNWVQIXKCDXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N5/c1-15-7-3-9-17-11-5-13-18-12-4-10-16-8-2-6-14/h15-18H,2-14H2,1H3.
What are the key properties of N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine?
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine has a molecular weight of 259.44 g/mol, XLogP of -0.51, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 20647748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).