2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine

C16H25N3 — CID 83920112

IUPAC2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
SMILESCN1CC(CCN)C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C16H25N3/c1-18-10-14(7-8-17)15-11-19(12-16(15)18)9-13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3
InChIKeyNXZYBPZQOZOJGZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.40
Rot. Bonds4

About 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine

2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine (PubChem CID 83920112) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
PubChem CID83920112
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
SMILESCN1CC(CCN)C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C16H25N3/c1-18-10-14(7-8-17)15-11-19(12-16(15)18)9-13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3
InChIKeyNXZYBPZQOZOJGZ-UHFFFAOYSA-N
XLogP1.40
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
(3aR,4R,7S,7aS)-2-benzyl-7-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82385393
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657
3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 50896418
2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine
CID 68954239
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 174034273
(4aS,7aS)-6-benzyl-4-methyl-2,3,4a,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyrazine
CID 124675823
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine (CID 83920112) is 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine is CN1CC(CCN)C2CN(Cc3ccccc3)CC21.
What is the InChIKey of 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
The InChIKey is NXZYBPZQOZOJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-10-14(7-8-17)15-11-19(12-16(15)18)9-13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3.
What are the key properties of 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine?
2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine has a molecular weight of 259.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine is sourced from PubChem (CID 83920112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).