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

C10H20N4 — CID 138649007

IUPACN'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine
SMILESC/C=C(\NCCN)N1CCN=C1CC
InChIInChI=1S/C10H20N4/c1-3-9(12-6-5-11)14-8-7-13-10(14)4-2/h3,12H,4-8,11H2,1-2H3/b9-3+
InChIKeyZPPSJAPEHJIUJL-YCRREMRBSA-N
MW196.30 g/mol
LogP0.52
Rot. Bonds5

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

N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine (PubChem CID 138649007) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine
PubChem CID138649007
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine
SMILESC/C=C(\NCCN)N1CCN=C1CC
InChIInChI=1S/C10H20N4/c1-3-9(12-6-5-11)14-8-7-13-10(14)4-2/h3,12H,4-8,11H2,1-2H3/b9-3+
InChIKeyZPPSJAPEHJIUJL-YCRREMRBSA-N
XLogP0.52
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine?
The IUPAC name of N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine (CID 138649007) is N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine is C/C=C(\NCCN)N1CCN=C1CC.
What is the InChIKey of N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine?
The InChIKey is ZPPSJAPEHJIUJL-YCRREMRBSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-9(12-6-5-11)14-8-7-13-10(14)4-2/h3,12H,4-8,11H2,1-2H3/b9-3+.
What are the key properties of N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine?
N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(2-ethyl-4,5-dihydroimidazol-1-yl)prop-1-enyl]ethane-1,2-diamine is sourced from PubChem (CID 138649007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).