ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine

C10H17N3 — CID 162433162

IUPACethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine
SMILESC=Cc1nccn1/C=C(\C)N.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-8-10-4-5-11(8)6-7(2)9;1-2/h3-6H,1,9H2,2H3;1-2H3/b7-6+;
InChIKeyACZVUGDPCHFQMJ-UHDJGPCESA-N
MW179.27 g/mol
LogP2.33
Rot. Bonds2

About ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine

ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine (PubChem CID 162433162) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine
PubChem CID162433162
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine
SMILESC=Cc1nccn1/C=C(\C)N.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-8-10-4-5-11(8)6-7(2)9;1-2/h3-6H,1,9H2,2H3;1-2H3/b7-6+;
InChIKeyACZVUGDPCHFQMJ-UHDJGPCESA-N
XLogP2.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine?
The IUPAC name of ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine (CID 162433162) is ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine.
What is the SMILES notation for ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine?
The canonical SMILES for ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine is C=Cc1nccn1/C=C(\C)N.CC.
What is the InChIKey of ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine?
The InChIKey is ACZVUGDPCHFQMJ-UHDJGPCESA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-3-8-10-4-5-11(8)6-7(2)9;1-2/h3-6H,1,9H2,2H3;1-2H3/b7-6+;.
What are the key properties of ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine?
ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-(2-ethenylimidazol-1-yl)prop-1-en-2-amine is sourced from PubChem (CID 162433162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).