N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine

C13H30N6 — CID 21498701

IUPACN'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCC1=NCCN1CCNCCNCCNCCN
InChIInChI=1S/C13H30N6/c1-2-13-18-10-12-19(13)11-9-17-8-7-16-6-5-15-4-3-14/h15-17H,2-12,14H2,1H3
InChIKeyIULBZOVIUJTZHT-UHFFFAOYSA-N
MW270.42 g/mol
LogP-1.16
Rot. Bonds12

About N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 21498701) has the molecular formula C13H30N6 and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID21498701
Molecular FormulaC13H30N6
Molecular Weight270.42 g/mol
Exact Mass270.25
IUPAC NameN'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCC1=NCCN1CCNCCNCCNCCN
InChIInChI=1S/C13H30N6/c1-2-13-18-10-12-19(13)11-9-17-8-7-16-6-5-15-4-3-14/h15-17H,2-12,14H2,1H3
InChIKeyIULBZOVIUJTZHT-UHFFFAOYSA-N
XLogP-1.16
TPSA77.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 21498701) is N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCC1=NCCN1CCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is IULBZOVIUJTZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N6/c1-2-13-18-10-12-19(13)11-9-17-8-7-16-6-5-15-4-3-14/h15-17H,2-12,14H2,1H3.
What are the key properties of N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of -1.16, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 21498701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).