N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene

C13H26N4 — CID 70451906

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
SMILESCc1ccccc1.NCCNCCNCCN
InChIInChI=1S/C7H8.C6H18N4/c1-7-5-3-2-4-6-7;7-1-3-9-5-6-10-4-2-8/h2-6H,1H3;9-10H,1-8H2
InChIKeyJHEMHFITSIXNAE-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.08
Rot. Bonds7

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene (PubChem CID 70451906) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
PubChem CID70451906
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
SMILESCc1ccccc1.NCCNCCNCCN
InChIInChI=1S/C7H8.C6H18N4/c1-7-5-3-2-4-6-7;7-1-3-9-5-6-10-4-2-8/h2-6H,1H3;9-10H,1-8H2
InChIKeyJHEMHFITSIXNAE-UHFFFAOYSA-N
XLogP0.08
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol
CID 175514439
2-aminoethylcarbamic acid;toluene
CID 70566419
N-(3-aminopropyl)formamide;toluene
CID 162755810
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
butan-1-amine;toluene;hydrate
CID 174894398
N-ethylethanamine;methanamine;toluene
CID 174650060
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
CID 158487474
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene (CID 70451906) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene is Cc1ccccc1.NCCNCCNCCN.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene?
The InChIKey is JHEMHFITSIXNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H18N4/c1-7-5-3-2-4-6-7;7-1-3-9-5-6-10-4-2-8/h2-6H,1H3;9-10H,1-8H2.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene has a molecular weight of 238.38 g/mol, XLogP of 0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene is sourced from PubChem (CID 70451906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).