N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine

C12H29N3 — CID 54322779

IUPACN'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCCN
InChIInChI=1S/C12H29N3/c1-3-5-10-15(11-6-4-2)12-9-14-8-7-13/h14H,3-13H2,1-2H3
InChIKeySSUJMOKZBZNDSC-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.44
Rot. Bonds11

About N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine

N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine (PubChem CID 54322779) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
PubChem CID54322779
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCCN
InChIInChI=1S/C12H29N3/c1-3-5-10-15(11-6-4-2)12-9-14-8-7-13/h14H,3-13H2,1-2H3
InChIKeySSUJMOKZBZNDSC-UHFFFAOYSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159788489
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
CID 160890057
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N'-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]ethane-1,2-diamine
CID 88548563
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N-(2-aminoethyl)-N'-[2-(2-aminoethylamino)ethyl]-N'-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-N-ethylbutane-1,4-diamine;N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[2-aminoethyl(propyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159625881
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine (CID 54322779) is N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine is CCCCN(CCCC)CCNCCN.
What is the InChIKey of N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine?
The InChIKey is SSUJMOKZBZNDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-3-5-10-15(11-6-4-2)12-9-14-8-7-13/h14H,3-13H2,1-2H3.
What are the key properties of N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine?
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.44, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 54322779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).