1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine

C17H28N2 — CID 117017110

IUPAC1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(C(C)(C)C)cc2)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2,3)13-7-9-14(10-8-13)19-12-11-15(18-6)17(19,4)5/h7-10,15,18H,11-12H2,1-6H3
InChIKeyWJNVHVLBVSWMBN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.56
Rot. Bonds2

About 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine

1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine (PubChem CID 117017110) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
PubChem CID117017110
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc(C(C)(C)C)cc2)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2,3)13-7-9-14(10-8-13)19-12-11-15(18-6)17(19,4)5/h7-10,15,18H,11-12H2,1-6H3
InChIKeyWJNVHVLBVSWMBN-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine (CID 117017110) is 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine is CNC1CCN(c2ccc(C(C)(C)C)cc2)C1(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The InChIKey is WJNVHVLBVSWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)13-7-9-14(10-8-13)19-12-11-15(18-6)17(19,4)5/h7-10,15,18H,11-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N,2,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).