6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide

C15H24IN3S — CID 166367493

IUPAC6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
SMILESCc1ccc(C(C)NC2=NCC3CCC(C)CN23)s1.I
InChIInChI=1S/C15H23N3S.HI/c1-10-4-6-13-8-16-15(18(13)9-10)17-12(3)14-7-5-11(2)19-14;/h5,7,10,12-13H,4,6,8-9H2,1-3H3,(H,16,17);1H
InChIKeyNRHKFJLHHGUIDA-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.80
Rot. Bonds2

About 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide

6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide (PubChem CID 166367493) has the molecular formula C15H24IN3S and a molecular weight of 405.35 g/mol. Its IUPAC name is 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide.

Molecular Properties

Compound Name6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
PubChem CID166367493
Molecular FormulaC15H24IN3S
Molecular Weight405.35 g/mol
Exact Mass405.07
IUPAC Name6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
SMILESCc1ccc(C(C)NC2=NCC3CCC(C)CN23)s1.I
InChIInChI=1S/C15H23N3S.HI/c1-10-4-6-13-8-16-15(18(13)9-10)17-12(3)14-7-5-11(2)19-14;/h5,7,10,12-13H,4,6,8-9H2,1-3H3,(H,16,17);1H
InChIKeyNRHKFJLHHGUIDA-UHFFFAOYSA-N
XLogP3.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
The IUPAC name of 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide (CID 166367493) is 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide.
What is the SMILES notation for 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
The canonical SMILES for 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide is Cc1ccc(C(C)NC2=NCC3CCC(C)CN23)s1.I.
What is the InChIKey of 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
The InChIKey is NRHKFJLHHGUIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S.HI/c1-10-4-6-13-8-16-15(18(13)9-10)17-12(3)14-7-5-11(2)19-14;/h5,7,10,12-13H,4,6,8-9H2,1-3H3,(H,16,17);1H.
What are the key properties of 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide?
6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide has a molecular weight of 405.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide is sourced from PubChem (CID 166367493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).