N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine

C8H15N3 — CID 134356639

IUPACN-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine
SMILESC=C(NCC)C1CN=C(C)N1
InChIInChI=1S/C8H15N3/c1-4-9-6(2)8-5-10-7(3)11-8/h8-9H,2,4-5H2,1,3H3,(H,10,11)
InChIKeyYBACYTQOHIOZQX-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.50
Rot. Bonds3

About N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine

N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine (PubChem CID 134356639) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine
PubChem CID134356639
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine
SMILESC=C(NCC)C1CN=C(C)N1
InChIInChI=1S/C8H15N3/c1-4-9-6(2)8-5-10-7(3)11-8/h8-9H,2,4-5H2,1,3H3,(H,10,11)
InChIKeyYBACYTQOHIOZQX-UHFFFAOYSA-N
XLogP0.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine?
The IUPAC name of N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine (CID 134356639) is N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine.
What is the SMILES notation for N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine?
The canonical SMILES for N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine is C=C(NCC)C1CN=C(C)N1.
What is the InChIKey of N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine?
The InChIKey is YBACYTQOHIOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-9-6(2)8-5-10-7(3)11-8/h8-9H,2,4-5H2,1,3H3,(H,10,11).
What are the key properties of N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine?
N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine has a molecular weight of 153.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)ethenamine is sourced from PubChem (CID 134356639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).