1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride

C15H27Cl2N5O — CID 154916494

IUPAC1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride
SMILESCc1[nH]cnc1CC(=O)N1CC2CNCC2(CN(C)C)C1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-11-13(18-10-17-11)4-14(21)20-6-12-5-16-7-15(12,9-20)8-19(2)3;;/h10,12,16H,4-9H2,1-3H3,(H,17,18);2*1H
InChIKeyPJMRWTOHSARJOT-UHFFFAOYSA-N
MW364.32 g/mol
LogP0.71
Rot. Bonds4

About 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride

1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride (PubChem CID 154916494) has the molecular formula C15H27Cl2N5O and a molecular weight of 364.32 g/mol. Its IUPAC name is 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride
PubChem CID154916494
Molecular FormulaC15H27Cl2N5O
Molecular Weight364.32 g/mol
Exact Mass363.16
IUPAC Name1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride
SMILESCc1[nH]cnc1CC(=O)N1CC2CNCC2(CN(C)C)C1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-11-13(18-10-17-11)4-14(21)20-6-12-5-16-7-15(12,9-20)8-19(2)3;;/h10,12,16H,4-9H2,1-3H3,(H,17,18);2*1H
InChIKeyPJMRWTOHSARJOT-UHFFFAOYSA-N
XLogP0.71
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 137336977
1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 137342524
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
N-[5-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-5-azaspiro[2.4]heptan-7-yl]-1,2-benzothiazole-5-carboxamide
CID 167762101
2-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 154917186
4-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N,N-dimethylpiperidine-1-carboxamide;hydrochloride
CID 154917666
N,N-bis(3-methylbutyl)-2-(5-methyl-1H-imidazol-4-yl)acetamide
CID 166218096
acetic acid;2-[2-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethoxy]benzamide
CID 171321470
3-[3-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 154918052
1-[3a-[(dimethylamino)methyl]-2-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-3-ylethanone
CID 138382232
1-[(3aS,6aS)-5-[2-(dimethylamino)acetyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 165418993
5-[2-[2-(cyclopenten-1-yl)acetyl]-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
CID 137334344

Frequently Asked Questions

What is the IUPAC name of 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride?
The IUPAC name of 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride (CID 154916494) is 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride is Cc1[nH]cnc1CC(=O)N1CC2CNCC2(CN(C)C)C1.Cl.Cl.
What is the InChIKey of 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride?
The InChIKey is PJMRWTOHSARJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.2ClH/c1-11-13(18-10-17-11)4-14(21)20-6-12-5-16-7-15(12,9-20)8-19(2)3;;/h10,12,16H,4-9H2,1-3H3,(H,17,18);2*1H.
What are the key properties of 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride?
1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride is sourced from PubChem (CID 154916494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).