5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine

C15H24N4 — CID 77092678

IUPAC5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN1C[C@@H]2CN(Cc3ccc(N(C)C)nc3)C[C@@H]2C1
InChIInChI=1S/C15H24N4/c1-17(2)15-5-4-12(6-16-15)7-19-10-13-8-18(3)9-14(13)11-19/h4-6,13-14H,7-11H2,1-3H3/t13-,14+
InChIKeyULFWETDPJJXEFX-OKILXGFUSA-N
MW260.38 g/mol
LogP1.14
Rot. Bonds3

About 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine

5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 77092678) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID77092678
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN1C[C@@H]2CN(Cc3ccc(N(C)C)nc3)C[C@@H]2C1
InChIInChI=1S/C15H24N4/c1-17(2)15-5-4-12(6-16-15)7-19-10-13-8-18(3)9-14(13)11-19/h4-6,13-14H,7-11H2,1-3H3/t13-,14+
InChIKeyULFWETDPJJXEFX-OKILXGFUSA-N
XLogP1.14
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 77092678) is 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine is CN1C[C@@H]2CN(Cc3ccc(N(C)C)nc3)C[C@@H]2C1.
What is the InChIKey of 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is ULFWETDPJJXEFX-OKILXGFUSA-N. The full InChI is InChI=1S/C15H24N4/c1-17(2)15-5-4-12(6-16-15)7-19-10-13-8-18(3)9-14(13)11-19/h4-6,13-14H,7-11H2,1-3H3/t13-,14+.
What are the key properties of 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine?
5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 77092678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).