1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]

C16H25N — CID 144633789

IUPAC1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]
SMILESCCc1[nH]c(CC)c2c1CC1(CCCCC1)C2
InChIInChI=1S/C16H25N/c1-3-14-12-10-16(8-6-5-7-9-16)11-13(12)15(4-2)17-14/h17H,3-11H2,1-2H3
InChIKeyOJOLMSIFOGDERM-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.19
Rot. Bonds2

About 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]

1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane] (PubChem CID 144633789) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane].

Molecular Properties

Compound Name1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]
PubChem CID144633789
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]
SMILESCCc1[nH]c(CC)c2c1CC1(CCCCC1)C2
InChIInChI=1S/C16H25N/c1-3-14-12-10-16(8-6-5-7-9-16)11-13(12)15(4-2)17-14/h17H,3-11H2,1-2H3
InChIKeyOJOLMSIFOGDERM-UHFFFAOYSA-N
XLogP4.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]?
The IUPAC name of 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane] (CID 144633789) is 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane].
What is the SMILES notation for 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]?
The canonical SMILES for 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane] is CCc1[nH]c(CC)c2c1CC1(CCCCC1)C2.
What is the InChIKey of 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]?
The InChIKey is OJOLMSIFOGDERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-14-12-10-16(8-6-5-7-9-16)11-13(12)15(4-2)17-14/h17H,3-11H2,1-2H3.
What are the key properties of 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]?
1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane] has a molecular weight of 231.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane] is sourced from PubChem (CID 144633789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).