N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

C18H23N3O2 — CID 97217183

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1cn2c(n1)[C@@H](CNCc1ccc3c(c1)OCCO3)CCC2
InChIInChI=1S/C18H23N3O2/c1-13-12-21-6-2-3-15(18(21)20-13)11-19-10-14-4-5-16-17(9-14)23-8-7-22-16/h4-5,9,12,15,19H,2-3,6-8,10-11H2,1H3/t15-/m1/s1
InChIKeyYTUFFQDBOYALTO-OAHLLOKOSA-N
MW313.40 g/mol
LogP2.63
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97217183) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID97217183
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCc1cn2c(n1)[C@@H](CNCc1ccc3c(c1)OCCO3)CCC2
InChIInChI=1S/C18H23N3O2/c1-13-12-21-6-2-3-15(18(21)20-13)11-19-10-14-4-5-16-17(9-14)23-8-7-22-16/h4-5,9,12,15,19H,2-3,6-8,10-11H2,1H3/t15-/m1/s1
InChIKeyYTUFFQDBOYALTO-OAHLLOKOSA-N
XLogP2.63
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine with MolForge

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Related Compounds

1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 154749153
3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]benzamide
CID 71929127
4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile
CID 71929154
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-1,4-dimethylimidazole
CID 124958367
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929120
N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073285
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97060170
1-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870105
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
CID 54906782

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97217183) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is Cc1cn2c(n1)[C@@H](CNCc1ccc3c(c1)OCCO3)CCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is YTUFFQDBOYALTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-12-21-6-2-3-15(18(21)20-13)11-19-10-14-4-5-16-17(9-14)23-8-7-22-16/h4-5,9,12,15,19H,2-3,6-8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 313.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97217183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).