1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine

C17H27NSe — CID 11012765

IUPAC1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine
SMILESCC1(C)CC(C[Se]c2ccccc2)N(C(C)(C)C)C1
InChIInChI=1S/C17H27NSe/c1-16(2,3)18-13-17(4,5)11-14(18)12-19-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-5H3
InChIKeyDQHIKDJWDSQYLQ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.33
Rot. Bonds3

About 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine

1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine (PubChem CID 11012765) has the molecular formula C17H27NSe and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine
PubChem CID11012765
Molecular FormulaC17H27NSe
Molecular Weight324.37 g/mol
Exact Mass325.13
IUPAC Name1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine
SMILESCC1(C)CC(C[Se]c2ccccc2)N(C(C)(C)C)C1
InChIInChI=1S/C17H27NSe/c1-16(2,3)18-13-17(4,5)11-14(18)12-19-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-5H3
InChIKeyDQHIKDJWDSQYLQ-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine?
The IUPAC name of 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine (CID 11012765) is 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine?
The canonical SMILES for 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine is CC1(C)CC(C[Se]c2ccccc2)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine?
The InChIKey is DQHIKDJWDSQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NSe/c1-16(2,3)18-13-17(4,5)11-14(18)12-19-15-9-7-6-8-10-15/h6-10,14H,11-13H2,1-5H3.
What are the key properties of 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine?
1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine has a molecular weight of 324.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine is sourced from PubChem (CID 11012765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).