2,5-dimethyl-4-pyrrolidin-1-ylaniline

C12H18N2 — CID 30029920

IUPAC2,5-dimethyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)c(C)cc1N
InChIInChI=1S/C12H18N2/c1-9-8-12(10(2)7-11(9)13)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyNFOHRMRFJHBLGC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.49
Rot. Bonds1

About 2,5-dimethyl-4-pyrrolidin-1-ylaniline

2,5-dimethyl-4-pyrrolidin-1-ylaniline (PubChem CID 30029920) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,5-dimethyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2,5-dimethyl-4-pyrrolidin-1-ylaniline
PubChem CID30029920
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,5-dimethyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)c(C)cc1N
InChIInChI=1S/C12H18N2/c1-9-8-12(10(2)7-11(9)13)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyNFOHRMRFJHBLGC-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': '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 2,5-dimethyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of 2,5-dimethyl-4-pyrrolidin-1-ylaniline (CID 30029920) is 2,5-dimethyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2,5-dimethyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 2,5-dimethyl-4-pyrrolidin-1-ylaniline is Cc1cc(N2CCCC2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-pyrrolidin-1-ylaniline?
The InChIKey is NFOHRMRFJHBLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-8-12(10(2)7-11(9)13)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-pyrrolidin-1-ylaniline?
2,5-dimethyl-4-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 2,5-dimethyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 30029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).