2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline

C16H27N3 — CID 143794435

IUPAC2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline
SMILESCC1CCCN1.Cc1cc(N2CCCC2)ccc1N
InChIInChI=1S/C11H16N2.C5H11N/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13;1-5-3-2-4-6-5/h4-5,8H,2-3,6-7,12H2,1H3;5-6H,2-4H2,1H3
InChIKeyFIEPITYITNTCLC-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.94
Rot. Bonds1

About 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline

2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 143794435) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline
PubChem CID143794435
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline
SMILESCC1CCCN1.Cc1cc(N2CCCC2)ccc1N
InChIInChI=1S/C11H16N2.C5H11N/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13;1-5-3-2-4-6-5/h4-5,8H,2-3,6-7,12H2,1H3;5-6H,2-4H2,1H3
InChIKeyFIEPITYITNTCLC-UHFFFAOYSA-N
XLogP2.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline (CID 143794435) is 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline is CC1CCCN1.Cc1cc(N2CCCC2)ccc1N.
What is the InChIKey of 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is FIEPITYITNTCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C5H11N/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13;1-5-3-2-4-6-5/h4-5,8H,2-3,6-7,12H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline?
2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 261.41 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 143794435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).