2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine

C15H29N — CID 67953209

IUPAC2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1C1CCCC1(C)C
InChIInChI=1S/C15H29N/c1-14(2,3)12-9-7-11-16(12)13-8-6-10-15(13,4)5/h12-13H,6-11H2,1-5H3
InChIKeyAACWTPVMFRRADS-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds1

About 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine

2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine (PubChem CID 67953209) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine
PubChem CID67953209
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1C1CCCC1(C)C
InChIInChI=1S/C15H29N/c1-14(2,3)12-9-7-11-16(12)13-8-6-10-15(13,4)5/h12-13H,6-11H2,1-5H3
InChIKeyAACWTPVMFRRADS-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine (CID 67953209) is 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine is CC(C)(C)C1CCCN1C1CCCC1(C)C.
What is the InChIKey of 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine?
The InChIKey is AACWTPVMFRRADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-14(2,3)12-9-7-11-16(12)13-8-6-10-15(13,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine?
2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine has a molecular weight of 223.40 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine is sourced from PubChem (CID 67953209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).