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

C15H25N3O — CID 75529262

IUPAC[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCCCN1CC[C@@H](CO)N(C)c2nc(C)ccc2C1
InChIInChI=1S/C15H25N3O/c1-4-8-18-9-7-14(11-19)17(3)15-13(10-18)6-5-12(2)16-15/h5-6,14,19H,4,7-11H2,1-3H3/t14-/m0/s1
InChIKeyFOGBQKCACFMEKT-AWEZNQCLSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds3

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

[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (PubChem CID 75529262) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
PubChem CID75529262
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
SMILESCCCN1CC[C@@H](CO)N(C)c2nc(C)ccc2C1
InChIInChI=1S/C15H25N3O/c1-4-8-18-9-7-14(11-19)17(3)15-13(10-18)6-5-12(2)16-15/h5-6,14,19H,4,7-11H2,1-3H3/t14-/m0/s1
InChIKeyFOGBQKCACFMEKT-AWEZNQCLSA-N
XLogP1.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The IUPAC name of [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol (CID 75529262) is [(2S)-1,9-dimethyl-5-propyl-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-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The canonical SMILES for [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is CCCN1CC[C@@H](CO)N(C)c2nc(C)ccc2C1.
What is the InChIKey of [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
The InChIKey is FOGBQKCACFMEKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-8-18-9-7-14(11-19)17(3)15-13(10-18)6-5-12(2)16-15/h5-6,14,19H,4,7-11H2,1-3H3/t14-/m0/s1.
What are the key properties of [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol?
[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol is sourced from PubChem (CID 75529262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).