[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

C15H23N3O2 — CID 75529272

IUPAC[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCc1ccc2c(n1)N(C)[C@H](CO)CCN(C1COC1)C2
InChIInChI=1S/C15H23N3O2/c1-11-3-4-12-7-18(14-9-20-10-14)6-5-13(8-19)17(2)15(12)16-11/h3-4,13-14,19H,5-10H2,1-2H3/t13-/m0/s1
InChIKeyTVWOABMZNUNHFA-ZDUSSCGKSA-N
MW277.37 g/mol
LogP0.79
Rot. Bonds2

About [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (PubChem CID 75529272) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
PubChem CID75529272
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCc1ccc2c(n1)N(C)[C@H](CO)CCN(C1COC1)C2
InChIInChI=1S/C15H23N3O2/c1-11-3-4-12-7-18(14-9-20-10-14)6-5-13(8-19)17(2)15(12)16-11/h3-4,13-14,19H,5-10H2,1-2H3/t13-/m0/s1
InChIKeyTVWOABMZNUNHFA-ZDUSSCGKSA-N
XLogP0.79
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (CID 75529272) is [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.
What is the SMILES notation for [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1COC1)C2.
What is the InChIKey of [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The InChIKey is TVWOABMZNUNHFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-3-4-12-7-18(14-9-20-10-14)6-5-13(8-19)17(2)15(12)16-11/h3-4,13-14,19H,5-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol has a molecular weight of 277.37 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 75529272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).