1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine

C11H24N2 — CID 117017087

IUPAC1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)(C)C)C1(C)C
InChIInChI=1S/C11H24N2/c1-10(2,3)13-8-7-9(12-6)11(13,4)5/h9,12H,7-8H2,1-6H3
InChIKeyNXVFQPLOPZINAX-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds1

About 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine

1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine (PubChem CID 117017087) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine
PubChem CID117017087
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)(C)C)C1(C)C
InChIInChI=1S/C11H24N2/c1-10(2,3)13-8-7-9(12-6)11(13,4)5/h9,12H,7-8H2,1-6H3
InChIKeyNXVFQPLOPZINAX-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine (CID 117017087) is 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine is CNC1CCN(C(C)(C)C)C1(C)C.
What is the InChIKey of 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine?
The InChIKey is NXVFQPLOPZINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2,3)13-8-7-9(12-6)11(13,4)5/h9,12H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine?
1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).