5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C14H26N2 — CID 106663508

IUPAC5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1CC(C)(C)CC1N1CC2CNCC2C1
InChIInChI=1S/C14H26N2/c1-10-4-14(2,3)5-13(10)16-8-11-6-15-7-12(11)9-16/h10-13,15H,4-9H2,1-3H3
InChIKeyLTTHDXIQXNOFOG-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.96
Rot. Bonds1

About 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 106663508) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID106663508
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1CC(C)(C)CC1N1CC2CNCC2C1
InChIInChI=1S/C14H26N2/c1-10-4-14(2,3)5-13(10)16-8-11-6-15-7-12(11)9-16/h10-13,15H,4-9H2,1-3H3
InChIKeyLTTHDXIQXNOFOG-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

5-methyl-1-(2,4,4-trimethylcyclopentyl)piperidin-3-amine
CID 106663522
3-methyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663521
N,4-dimethyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663529
3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine
CID 130578823
3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 106664242
2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid
CID 106664199
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 34180510
3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
CID 165449953
2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 106664270
3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968293
4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66210328
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 135393186

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 106663508) is 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1CC(C)(C)CC1N1CC2CNCC2C1.
What is the InChIKey of 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is LTTHDXIQXNOFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10-4-14(2,3)5-13(10)16-8-11-6-15-7-12(11)9-16/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 222.38 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 106663508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).