4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline

C15H16N2 — CID 68548753

IUPAC4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
SMILESC=C(C)c1ccc(-c2cc(N)ccc2C)cn1
InChIInChI=1S/C15H16N2/c1-10(2)15-7-5-12(9-17-15)14-8-13(16)6-4-11(14)3/h4-9H,1,16H2,2-3H3
InChIKeyCVUBYPLQMGZGJI-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.67
Rot. Bonds2

About 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline

4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline (PubChem CID 68548753) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
PubChem CID68548753
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
SMILESC=C(C)c1ccc(-c2cc(N)ccc2C)cn1
InChIInChI=1S/C15H16N2/c1-10(2)15-7-5-12(9-17-15)14-8-13(16)6-4-11(14)3/h4-9H,1,16H2,2-3H3
InChIKeyCVUBYPLQMGZGJI-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.67
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 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline?
The IUPAC name of 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline (CID 68548753) is 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline.
What is the SMILES notation for 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline?
The canonical SMILES for 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline is C=C(C)c1ccc(-c2cc(N)ccc2C)cn1.
What is the InChIKey of 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline?
The InChIKey is CVUBYPLQMGZGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-10(2)15-7-5-12(9-17-15)14-8-13(16)6-4-11(14)3/h4-9H,1,16H2,2-3H3.
What are the key properties of 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline?
4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline has a molecular weight of 224.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline is sourced from PubChem (CID 68548753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).