2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine

C9H17N3 — CID 90856815

IUPAC2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine
SMILESC=CC1=NC(CC)N(CCN)C1
InChIInChI=1S/C9H17N3/c1-3-8-7-12(6-5-10)9(4-2)11-8/h3,9H,1,4-7,10H2,2H3
InChIKeyYMTJBXYKZRPLKP-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.62
Rot. Bonds4

About 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine

2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine (PubChem CID 90856815) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine
PubChem CID90856815
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine
SMILESC=CC1=NC(CC)N(CCN)C1
InChIInChI=1S/C9H17N3/c1-3-8-7-12(6-5-10)9(4-2)11-8/h3,9H,1,4-7,10H2,2H3
InChIKeyYMTJBXYKZRPLKP-UHFFFAOYSA-N
XLogP0.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
CID 134485867

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine?
The IUPAC name of 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine (CID 90856815) is 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine is C=CC1=NC(CC)N(CCN)C1.
What is the InChIKey of 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine?
The InChIKey is YMTJBXYKZRPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8-7-12(6-5-10)9(4-2)11-8/h3,9H,1,4-7,10H2,2H3.
What are the key properties of 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine?
2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-2-ethyl-2,4-dihydroimidazol-3-yl)ethanamine is sourced from PubChem (CID 90856815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).