1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine

C11H23N — CID 18713582

IUPAC1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1(C)CN(C)CC1(C)C
InChIInChI=1S/C11H23N/c1-9(2)11(5)8-12(6)7-10(11,3)4/h9H,7-8H2,1-6H3
InChIKeyPWIVKXZLVYQVEZ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.62
Rot. Bonds1

About 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine

1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine (PubChem CID 18713582) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine
PubChem CID18713582
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1(C)CN(C)CC1(C)C
InChIInChI=1S/C11H23N/c1-9(2)11(5)8-12(6)7-10(11,3)4/h9H,7-8H2,1-6H3
InChIKeyPWIVKXZLVYQVEZ-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine?
The IUPAC name of 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine (CID 18713582) is 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine is CC(C)C1(C)CN(C)CC1(C)C.
What is the InChIKey of 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine?
The InChIKey is PWIVKXZLVYQVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)11(5)8-12(6)7-10(11,3)4/h9H,7-8H2,1-6H3.
What are the key properties of 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine?
1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4-tetramethyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 18713582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).