4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C16H30N2 — CID 66209938

IUPAC4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1CCCC(CN2CC3CNCC3C2(C)C)C1
InChIInChI=1S/C16H30N2/c1-12-5-4-6-13(7-12)10-18-11-14-8-17-9-15(14)16(18,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyLBUKPNKTWFMWOP-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.74
Rot. Bonds2

About 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66209938) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66209938
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1CCCC(CN2CC3CNCC3C2(C)C)C1
InChIInChI=1S/C16H30N2/c1-12-5-4-6-13(7-12)10-18-11-14-8-17-9-15(14)16(18,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyLBUKPNKTWFMWOP-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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

4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241880
4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243797
5-(2-bicyclo[2.2.1]heptanylmethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79558166
4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244210
5-butyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207819
5-cyclobutyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209167
(2S)-1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 106933586
5-(2-ethylbutyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208395
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
4,4-dimethyl-5-(pyridin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243738
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66244832
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66209938) is 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1CCCC(CN2CC3CNCC3C2(C)C)C1.
What is the InChIKey of 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LBUKPNKTWFMWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-5-4-6-13(7-12)10-18-11-14-8-17-9-15(14)16(18,2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 250.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).