4-(1-tert-butylpyrrolidin-3-yl)aniline

C14H22N2 — CID 67250052

IUPAC4-(1-tert-butylpyrrolidin-3-yl)aniline
SMILESCC(C)(C)N1CCC(c2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2/c1-14(2,3)16-9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12H,8-10,15H2,1-3H3
InChIKeyJDPAMMNKBXZTOT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.86
Rot. Bonds1

About 4-(1-tert-butylpyrrolidin-3-yl)aniline

4-(1-tert-butylpyrrolidin-3-yl)aniline (PubChem CID 67250052) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(1-tert-butylpyrrolidin-3-yl)aniline.

Molecular Properties

Compound Name4-(1-tert-butylpyrrolidin-3-yl)aniline
PubChem CID67250052
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-(1-tert-butylpyrrolidin-3-yl)aniline
SMILESCC(C)(C)N1CCC(c2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2/c1-14(2,3)16-9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12H,8-10,15H2,1-3H3
InChIKeyJDPAMMNKBXZTOT-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrrolidin-3-yl)aniline?
The IUPAC name of 4-(1-tert-butylpyrrolidin-3-yl)aniline (CID 67250052) is 4-(1-tert-butylpyrrolidin-3-yl)aniline.
What is the SMILES notation for 4-(1-tert-butylpyrrolidin-3-yl)aniline?
The canonical SMILES for 4-(1-tert-butylpyrrolidin-3-yl)aniline is CC(C)(C)N1CCC(c2ccc(N)cc2)C1.
What is the InChIKey of 4-(1-tert-butylpyrrolidin-3-yl)aniline?
The InChIKey is JDPAMMNKBXZTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)16-9-8-12(10-16)11-4-6-13(15)7-5-11/h4-7,12H,8-10,15H2,1-3H3.
What are the key properties of 4-(1-tert-butylpyrrolidin-3-yl)aniline?
4-(1-tert-butylpyrrolidin-3-yl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrrolidin-3-yl)aniline is sourced from PubChem (CID 67250052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).