N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine

C13H34N6 — CID 162227177

IUPACN',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
SMILESNCCCCCN(CCNCCN)CCNCCN
InChIInChI=1S/C13H34N6/c14-4-2-1-3-11-19(12-9-17-7-5-15)13-10-18-8-6-16/h17-18H,1-16H2
InChIKeyNMGQRPFAYXPMHX-UHFFFAOYSA-N
MW274.46 g/mol
LogP-1.49
Rot. Bonds15

About N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine

N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine (PubChem CID 162227177) has the molecular formula C13H34N6 and a molecular weight of 274.46 g/mol. Its IUPAC name is N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
PubChem CID162227177
Molecular FormulaC13H34N6
Molecular Weight274.46 g/mol
Exact Mass274.28
IUPAC NameN',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
SMILESNCCCCCN(CCNCCN)CCNCCN
InChIInChI=1S/C13H34N6/c14-4-2-1-3-11-19(12-9-17-7-5-15)13-10-18-8-6-16/h17-18H,1-16H2
InChIKeyNMGQRPFAYXPMHX-UHFFFAOYSA-N
XLogP-1.49
TPSA105.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[amino(2-aminoethyl)amino]ethyl]-N'-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-aminoethyl)amino]ethylamino]ethyl]amino]ethyl]pentane-1,5-diamine
CID 158647288
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
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(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N'-[2-[2-(2-aminoethylamino)ethyl-[3-[3-[2-aminoethyl(3-aminopropyl)amino]propylamino]propyl]amino]ethyl]-N'-[2-[bis(3-aminopropyl)amino]ethyl]heptane-1,7-diamine;N-ethylpentan-1-amine
CID 165036061
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613

Frequently Asked Questions

What is the IUPAC name of N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine?
The IUPAC name of N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine (CID 162227177) is N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine.
What is the SMILES notation for N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine?
The canonical SMILES for N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine is NCCCCCN(CCNCCN)CCNCCN.
What is the InChIKey of N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine?
The InChIKey is NMGQRPFAYXPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34N6/c14-4-2-1-3-11-19(12-9-17-7-5-15)13-10-18-8-6-16/h17-18H,1-16H2.
What are the key properties of N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine?
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine has a molecular weight of 274.46 g/mol, XLogP of -1.49, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine is sourced from PubChem (CID 162227177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).