N,N',N'-tris(3-aminopropyl)butane-1,4-diamine

C13H33N5 — CID 86175000

IUPACN,N',N'-tris(3-aminopropyl)butane-1,4-diamine
SMILESNCCCNCCCCN(CCCN)CCCN
InChIInChI=1S/C13H33N5/c14-6-3-10-17-9-1-2-11-18(12-4-7-15)13-5-8-16/h17H,1-16H2
InChIKeyUAGCUQRCYLGHHF-UHFFFAOYSA-N
MW259.44 g/mol
LogP-0.30
Rot. Bonds14

About N,N',N'-tris(3-aminopropyl)butane-1,4-diamine

N,N',N'-tris(3-aminopropyl)butane-1,4-diamine (PubChem CID 86175000) has the molecular formula C13H33N5 and a molecular weight of 259.44 g/mol. Its IUPAC name is N,N',N'-tris(3-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N',N'-tris(3-aminopropyl)butane-1,4-diamine
PubChem CID86175000
Molecular FormulaC13H33N5
Molecular Weight259.44 g/mol
Exact Mass259.27
IUPAC NameN,N',N'-tris(3-aminopropyl)butane-1,4-diamine
SMILESNCCCNCCCCN(CCCN)CCCN
InChIInChI=1S/C13H33N5/c14-6-3-10-17-9-1-2-11-18(12-4-7-15)13-5-8-16/h17H,1-16H2
InChIKeyUAGCUQRCYLGHHF-UHFFFAOYSA-N
XLogP-0.30
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 5-0.30
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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Related Compounds

N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879
N,N'-bis(3-aminopropyl)-N'-[3-(ethylamino)propyl]heptane-1,7-diamine;pentahydrobromide
CID 158407936
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris(3-aminopropyl)butane-1,4-diamine?
The IUPAC name of N,N',N'-tris(3-aminopropyl)butane-1,4-diamine (CID 86175000) is N,N',N'-tris(3-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for N,N',N'-tris(3-aminopropyl)butane-1,4-diamine?
The canonical SMILES for N,N',N'-tris(3-aminopropyl)butane-1,4-diamine is NCCCNCCCCN(CCCN)CCCN.
What is the InChIKey of N,N',N'-tris(3-aminopropyl)butane-1,4-diamine?
The InChIKey is UAGCUQRCYLGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N5/c14-6-3-10-17-9-1-2-11-18(12-4-7-15)13-5-8-16/h17H,1-16H2.
What are the key properties of N,N',N'-tris(3-aminopropyl)butane-1,4-diamine?
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine has a molecular weight of 259.44 g/mol, XLogP of -0.30, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris(3-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 86175000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).