(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine

C15H29N — CID 134863651

IUPAC(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1C=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29N/c1-12-9-8-10-16(12)11-13(14(2,3)4)15(5,6)7/h11-12H,8-10H2,1-7H3/t12-/m1/s1
InChIKeyGEUAVRSUIFUBFT-GFCCVEGCSA-N
MW223.40 g/mol
LogP4.45
Rot. Bonds1

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

(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine (PubChem CID 134863651) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine
PubChem CID134863651
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1C=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29N/c1-12-9-8-10-16(12)11-13(14(2,3)4)15(5,6)7/h11-12H,8-10H2,1-7H3/t12-/m1/s1
InChIKeyGEUAVRSUIFUBFT-GFCCVEGCSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine?
The IUPAC name of (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine (CID 134863651) is (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine is C[C@@H]1CCCN1C=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine?
The InChIKey is GEUAVRSUIFUBFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H29N/c1-12-9-8-10-16(12)11-13(14(2,3)4)15(5,6)7/h11-12H,8-10H2,1-7H3/t12-/m1/s1.
What are the key properties of (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine?
(2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine has a molecular weight of 223.40 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-tert-butyl-3,3-dimethylbut-1-enyl)-2-methylpyrrolidine is sourced from PubChem (CID 134863651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).