1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine

C14H27N — CID 134853963

IUPAC1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine
SMILESCC(C)(C)C(=CN1CCCC1)C(C)(C)C
InChIInChI=1S/C14H27N/c1-13(2,3)12(14(4,5)6)11-15-9-7-8-10-15/h11H,7-10H2,1-6H3
InChIKeyHPAITGCINSQIAT-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.06
Rot. Bonds1

About 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine

1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine (PubChem CID 134853963) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine
PubChem CID134853963
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine
SMILESCC(C)(C)C(=CN1CCCC1)C(C)(C)C
InChIInChI=1S/C14H27N/c1-13(2,3)12(14(4,5)6)11-15-9-7-8-10-15/h11H,7-10H2,1-6H3
InChIKeyHPAITGCINSQIAT-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine?
The IUPAC name of 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine (CID 134853963) is 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine.
What is the SMILES notation for 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine?
The canonical SMILES for 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine is CC(C)(C)C(=CN1CCCC1)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine?
The InChIKey is HPAITGCINSQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-13(2,3)12(14(4,5)6)11-15-9-7-8-10-15/h11H,7-10H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine?
1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-3,3-dimethylbut-1-enyl)pyrrolidine is sourced from PubChem (CID 134853963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).