4-methylaniline;1-methylimidazolidine

C11H19N3 — CID 142077719

IUPAC4-methylaniline;1-methylimidazolidine
SMILESCN1CCNC1.Cc1ccc(N)cc1
InChIInChI=1S/C7H9N.C4H10N2/c1-6-2-4-7(8)5-3-6;1-6-3-2-5-4-6/h2-5H,8H2,1H3;5H,2-4H2,1H3
InChIKeyDAJQEACXTMCDBA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.06
Rot. Bonds

About 4-methylaniline;1-methylimidazolidine

4-methylaniline;1-methylimidazolidine (PubChem CID 142077719) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methylaniline;1-methylimidazolidine.

Molecular Properties

Compound Name4-methylaniline;1-methylimidazolidine
PubChem CID142077719
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-methylaniline;1-methylimidazolidine
SMILESCN1CCNC1.Cc1ccc(N)cc1
InChIInChI=1S/C7H9N.C4H10N2/c1-6-2-4-7(8)5-3-6;1-6-3-2-5-4-6/h2-5H,8H2,1H3;5H,2-4H2,1H3
InChIKeyDAJQEACXTMCDBA-UHFFFAOYSA-N
XLogP1.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylaniline;1-methylimidazolidine?
The IUPAC name of 4-methylaniline;1-methylimidazolidine (CID 142077719) is 4-methylaniline;1-methylimidazolidine.
What is the SMILES notation for 4-methylaniline;1-methylimidazolidine?
The canonical SMILES for 4-methylaniline;1-methylimidazolidine is CN1CCNC1.Cc1ccc(N)cc1.
What is the InChIKey of 4-methylaniline;1-methylimidazolidine?
The InChIKey is DAJQEACXTMCDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H10N2/c1-6-2-4-7(8)5-3-6;1-6-3-2-5-4-6/h2-5H,8H2,1H3;5H,2-4H2,1H3.
What are the key properties of 4-methylaniline;1-methylimidazolidine?
4-methylaniline;1-methylimidazolidine has a molecular weight of 193.29 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylaniline;1-methylimidazolidine is sourced from PubChem (CID 142077719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).