6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine

C16H24N2 — CID 70812882

IUPAC6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine
SMILESCC12CCCNC1(C)CN(Cc1ccccc1)C2
InChIInChI=1S/C16H24N2/c1-15-9-6-10-17-16(15,2)13-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,17H,6,9-13H2,1-2H3
InChIKeyHKPZOFXIGZTYMK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.65
Rot. Bonds2

About 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine

6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine (PubChem CID 70812882) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine
PubChem CID70812882
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine
SMILESCC12CCCNC1(C)CN(Cc1ccccc1)C2
InChIInChI=1S/C16H24N2/c1-15-9-6-10-17-16(15,2)13-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,17H,6,9-13H2,1-2H3
InChIKeyHKPZOFXIGZTYMK-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
3-benzyl-1,3-diazaspiro[4.4]nonane
CID 15573776
15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
CID 12860336
(3aS,6aS)-5-benzyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125461885
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine (CID 70812882) is 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine is CC12CCCNC1(C)CN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine?
The InChIKey is HKPZOFXIGZTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15-9-6-10-17-16(15,2)13-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,17H,6,9-13H2,1-2H3.
What are the key properties of 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine?
6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine has a molecular weight of 244.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4a,7a-dimethyl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 70812882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).