2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole

C7H15N3 — CID 162695078

IUPAC2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole
SMILESCC1NC2CN(C)CC2N1
InChIInChI=1S/C7H15N3/c1-5-8-6-3-10(2)4-7(6)9-5/h5-9H,3-4H2,1-2H3
InChIKeyVPYUUSXWVBUSIA-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.79
Rot. Bonds

About 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole

2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 162695078) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID162695078
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole
SMILESCC1NC2CN(C)CC2N1
InChIInChI=1S/C7H15N3/c1-5-8-6-3-10(2)4-7(6)9-5/h5-9H,3-4H2,1-2H3
InChIKeyVPYUUSXWVBUSIA-UHFFFAOYSA-N
XLogP-0.79
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 124526119
(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
CID 167526507
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 156708920
1,2,4,6-tetramethylpiperazine
CID 22088083
2,4,6-trimethyl-1,3,5-triazinane;hydrate
CID 156588362
3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
CID 178147119
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
(3S,5R)-3-ethynyl-1,5-dimethylpiperazine
CID 144895354
1,3,4,4,5-pentamethylpiperidine
CID 18740724
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 34180510
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole (CID 162695078) is 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole is CC1NC2CN(C)CC2N1.
What is the InChIKey of 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is VPYUUSXWVBUSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-5-8-6-3-10(2)4-7(6)9-5/h5-9H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole?
2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 141.22 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 162695078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).