1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine

C15H27N — CID 58975412

IUPAC1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine
SMILESCC1CCC(C)C2CC(N3CCCC3)CC12
InChIInChI=1S/C15H27N/c1-11-5-6-12(2)15-10-13(9-14(11)15)16-7-3-4-8-16/h11-15H,3-10H2,1-2H3
InChIKeyPJMPCSWYGFNYEQ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.54
Rot. Bonds1

About 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine

1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine (PubChem CID 58975412) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine
PubChem CID58975412
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine
SMILESCC1CCC(C)C2CC(N3CCCC3)CC12
InChIInChI=1S/C15H27N/c1-11-5-6-12(2)15-10-13(9-14(11)15)16-7-3-4-8-16/h11-15H,3-10H2,1-2H3
InChIKeyPJMPCSWYGFNYEQ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine?
The IUPAC name of 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine (CID 58975412) is 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine.
What is the SMILES notation for 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine?
The canonical SMILES for 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine is CC1CCC(C)C2CC(N3CCCC3)CC12.
What is the InChIKey of 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine?
The InChIKey is PJMPCSWYGFNYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-5-6-12(2)15-10-13(9-14(11)15)16-7-3-4-8-16/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine?
1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine has a molecular weight of 221.39 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrolidine is sourced from PubChem (CID 58975412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).