2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine

C15H27N — CID 67953190

IUPAC2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1CC1C=CCCC1
InChIInChI=1S/C15H27N/c1-15(2,3)14-10-7-11-16(14)12-13-8-5-4-6-9-13/h5,8,13-14H,4,6-7,9-12H2,1-3H3
InChIKeyLYOPECLWDMJTGK-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.85
Rot. Bonds2

About 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine

2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine (PubChem CID 67953190) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine
PubChem CID67953190
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1CC1C=CCCC1
InChIInChI=1S/C15H27N/c1-15(2,3)14-10-7-11-16(14)12-13-8-5-4-6-9-13/h5,8,13-14H,4,6-7,9-12H2,1-3H3
InChIKeyLYOPECLWDMJTGK-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine (CID 67953190) is 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine is CC(C)(C)C1CCCN1CC1C=CCCC1.
What is the InChIKey of 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine?
The InChIKey is LYOPECLWDMJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-15(2,3)14-10-7-11-16(14)12-13-8-5-4-6-9-13/h5,8,13-14H,4,6-7,9-12H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine?
2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine has a molecular weight of 221.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 67953190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).