(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine

C12H19N3 — CID 178024554

IUPAC(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine
SMILESC[C@H](N)C/C=C/c1cnc2n1CCCC2
InChIInChI=1S/C12H19N3/c1-10(13)5-4-6-11-9-14-12-7-2-3-8-15(11)12/h4,6,9-10H,2-3,5,7-8,13H2,1H3/b6-4+/t10-/m0/s1
InChIKeyDDMPDOQXFYOYIG-RWCYGVJQSA-N
MW205.31 g/mol
LogP1.97
Rot. Bonds3

About (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine

(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine (PubChem CID 178024554) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine
PubChem CID178024554
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine
SMILESC[C@H](N)C/C=C/c1cnc2n1CCCC2
InChIInChI=1S/C12H19N3/c1-10(13)5-4-6-11-9-14-12-7-2-3-8-15(11)12/h4,6,9-10H,2-3,5,7-8,13H2,1H3/b6-4+/t10-/m0/s1
InChIKeyDDMPDOQXFYOYIG-RWCYGVJQSA-N
XLogP1.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine?
The IUPAC name of (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine (CID 178024554) is (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine.
What is the SMILES notation for (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine?
The canonical SMILES for (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine is C[C@H](N)C/C=C/c1cnc2n1CCCC2.
What is the InChIKey of (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine?
The InChIKey is DDMPDOQXFYOYIG-RWCYGVJQSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(13)5-4-6-11-9-14-12-7-2-3-8-15(11)12/h4,6,9-10H,2-3,5,7-8,13H2,1H3/b6-4+/t10-/m0/s1.
What are the key properties of (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine?
(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine has a molecular weight of 205.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine is sourced from PubChem (CID 178024554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).