N,N-dimethyl-4-pyrrolidin-3-ylaniline

C12H18N2 — CID 55269088

IUPACN,N-dimethyl-4-pyrrolidin-3-ylaniline
SMILESCN(C)c1ccc(C2CCNC2)cc1
InChIInChI=1S/C12H18N2/c1-14(2)12-5-3-10(4-6-12)11-7-8-13-9-11/h3-6,11,13H,7-9H2,1-2H3
InChIKeyNKDQMXRGXQIDSR-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.83
Rot. Bonds2

About N,N-dimethyl-4-pyrrolidin-3-ylaniline

N,N-dimethyl-4-pyrrolidin-3-ylaniline (PubChem CID 55269088) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrrolidin-3-ylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrrolidin-3-ylaniline
PubChem CID55269088
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,N-dimethyl-4-pyrrolidin-3-ylaniline
SMILESCN(C)c1ccc(C2CCNC2)cc1
InChIInChI=1S/C12H18N2/c1-14(2)12-5-3-10(4-6-12)11-7-8-13-9-11/h3-6,11,13H,7-9H2,1-2H3
InChIKeyNKDQMXRGXQIDSR-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrrolidin-3-ylaniline?
The IUPAC name of N,N-dimethyl-4-pyrrolidin-3-ylaniline (CID 55269088) is N,N-dimethyl-4-pyrrolidin-3-ylaniline.
What is the SMILES notation for N,N-dimethyl-4-pyrrolidin-3-ylaniline?
The canonical SMILES for N,N-dimethyl-4-pyrrolidin-3-ylaniline is CN(C)c1ccc(C2CCNC2)cc1.
What is the InChIKey of N,N-dimethyl-4-pyrrolidin-3-ylaniline?
The InChIKey is NKDQMXRGXQIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)12-5-3-10(4-6-12)11-7-8-13-9-11/h3-6,11,13H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrrolidin-3-ylaniline?
N,N-dimethyl-4-pyrrolidin-3-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrrolidin-3-ylaniline is sourced from PubChem (CID 55269088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).