4-(3-methylpyrrolidin-3-yl)aniline

C11H16N2 — CID 117050230

IUPAC4-(3-methylpyrrolidin-3-yl)aniline
SMILESCC1(c2ccc(N)cc2)CCNC1
InChIInChI=1S/C11H16N2/c1-11(6-7-13-8-11)9-2-4-10(12)5-3-9/h2-5,13H,6-8,12H2,1H3
InChIKeyRDFAGXQMPITIMD-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.52
Rot. Bonds1

About 4-(3-methylpyrrolidin-3-yl)aniline

4-(3-methylpyrrolidin-3-yl)aniline (PubChem CID 117050230) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-3-yl)aniline.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-3-yl)aniline
PubChem CID117050230
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-(3-methylpyrrolidin-3-yl)aniline
SMILESCC1(c2ccc(N)cc2)CCNC1
InChIInChI=1S/C11H16N2/c1-11(6-7-13-8-11)9-2-4-10(12)5-3-9/h2-5,13H,6-8,12H2,1H3
InChIKeyRDFAGXQMPITIMD-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-(3-methylpyrrolidin-3-yl)aniline?
The IUPAC name of 4-(3-methylpyrrolidin-3-yl)aniline (CID 117050230) is 4-(3-methylpyrrolidin-3-yl)aniline.
What is the SMILES notation for 4-(3-methylpyrrolidin-3-yl)aniline?
The canonical SMILES for 4-(3-methylpyrrolidin-3-yl)aniline is CC1(c2ccc(N)cc2)CCNC1.
What is the InChIKey of 4-(3-methylpyrrolidin-3-yl)aniline?
The InChIKey is RDFAGXQMPITIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(6-7-13-8-11)9-2-4-10(12)5-3-9/h2-5,13H,6-8,12H2,1H3.
What are the key properties of 4-(3-methylpyrrolidin-3-yl)aniline?
4-(3-methylpyrrolidin-3-yl)aniline has a molecular weight of 176.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-3-yl)aniline is sourced from PubChem (CID 117050230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).