2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C13H25N — CID 167309530

IUPAC2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)C1CC(C)C2CN(C)C(C)C12
InChIInChI=1S/C13H25N/c1-8(2)11-6-9(3)12-7-14(5)10(4)13(11)12/h8-13H,6-7H2,1-5H3
InChIKeyKSTGYEOEKQDASR-UHFFFAOYSA-N
MW195.35 g/mol
LogP2.86
Rot. Bonds1

About 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 167309530) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID167309530
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)C1CC(C)C2CN(C)C(C)C12
InChIInChI=1S/C13H25N/c1-8(2)11-6-9(3)12-7-14(5)10(4)13(11)12/h8-13H,6-7H2,1-5H3
InChIKeyKSTGYEOEKQDASR-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 167309530) is 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC(C)C1CC(C)C2CN(C)C(C)C12.
What is the InChIKey of 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is KSTGYEOEKQDASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)11-6-9(3)12-7-14(5)10(4)13(11)12/h8-13H,6-7H2,1-5H3.
What are the key properties of 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 195.35 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 167309530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).