2,4-dimethyl-6-pyrrolidin-1-ylaniline

C12H18N2 — CID 91671740

IUPAC2,4-dimethyl-6-pyrrolidin-1-ylaniline
SMILESCc1cc(C)c(N)c(N2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-9-7-10(2)12(13)11(8-9)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyNEJCQXNINAAEKX-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.49
Rot. Bonds1

About 2,4-dimethyl-6-pyrrolidin-1-ylaniline

2,4-dimethyl-6-pyrrolidin-1-ylaniline (PubChem CID 91671740) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2,4-dimethyl-6-pyrrolidin-1-ylaniline
PubChem CID91671740
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,4-dimethyl-6-pyrrolidin-1-ylaniline
SMILESCc1cc(C)c(N)c(N2CCCC2)c1
InChIInChI=1S/C12H18N2/c1-9-7-10(2)12(13)11(8-9)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyNEJCQXNINAAEKX-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.49
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 2,4-dimethyl-6-pyrrolidin-1-ylaniline?
The IUPAC name of 2,4-dimethyl-6-pyrrolidin-1-ylaniline (CID 91671740) is 2,4-dimethyl-6-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2,4-dimethyl-6-pyrrolidin-1-ylaniline?
The canonical SMILES for 2,4-dimethyl-6-pyrrolidin-1-ylaniline is Cc1cc(C)c(N)c(N2CCCC2)c1.
What is the InChIKey of 2,4-dimethyl-6-pyrrolidin-1-ylaniline?
The InChIKey is NEJCQXNINAAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-7-10(2)12(13)11(8-9)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-pyrrolidin-1-ylaniline?
2,4-dimethyl-6-pyrrolidin-1-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-pyrrolidin-1-ylaniline is sourced from PubChem (CID 91671740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).