(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

C14H19N3 — CID 138050008

IUPAC(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESc1ccc(CNC2=NC[C@@H]3CCCCN23)cc1
InChIInChI=1S/C14H19N3/c1-2-6-12(7-3-1)10-15-14-16-11-13-8-4-5-9-17(13)14/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)/t13-/m0/s1
InChIKeyIWWGNJBTKYQKMJ-ZDUSSCGKSA-N
MW229.33 g/mol
LogP2.00
Rot. Bonds2

About (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (PubChem CID 138050008) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
PubChem CID138050008
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESc1ccc(CNC2=NC[C@@H]3CCCCN23)cc1
InChIInChI=1S/C14H19N3/c1-2-6-12(7-3-1)10-15-14-16-11-13-8-4-5-9-17(13)14/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)/t13-/m0/s1
InChIKeyIWWGNJBTKYQKMJ-ZDUSSCGKSA-N
XLogP2.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine with MolForge

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Related Compounds

N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 166265063
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
(8aS)-2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-imine
CID 127039854
3-(benzylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
CID 59450940
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
(1R,4aS)-2-benzyl-1-(3,4-dichlorophenyl)-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 11888526
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
5-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-benzylpyrimidin-2-amine
CID 56701298

Frequently Asked Questions

What is the IUPAC name of (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The IUPAC name of (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (CID 138050008) is (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.
What is the SMILES notation for (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The canonical SMILES for (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is c1ccc(CNC2=NC[C@@H]3CCCCN23)cc1.
What is the InChIKey of (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The InChIKey is IWWGNJBTKYQKMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-12(7-3-1)10-15-14-16-11-13-8-4-5-9-17(13)14/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)/t13-/m0/s1.
What are the key properties of (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine has a molecular weight of 229.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 138050008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).