3-methyl-5-[3-(methylamino)prop-1-enyl]aniline

C11H16N2 — CID 169473325

IUPAC3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(C)cc(N)c1
InChIInChI=1S/C11H16N2/c1-9-6-10(4-3-5-13-2)8-11(12)7-9/h3-4,6-8,13H,5,12H2,1-2H3
InChIKeyGUDYAGPNZGGFGX-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.81
Rot. Bonds3

About 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline

3-methyl-5-[3-(methylamino)prop-1-enyl]aniline (PubChem CID 169473325) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
PubChem CID169473325
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(C)cc(N)c1
InChIInChI=1S/C11H16N2/c1-9-6-10(4-3-5-13-2)8-11(12)7-9/h3-4,6-8,13H,5,12H2,1-2H3
InChIKeyGUDYAGPNZGGFGX-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
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 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline?
The IUPAC name of 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline (CID 169473325) is 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline.
What is the SMILES notation for 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline?
The canonical SMILES for 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline is CNCC=Cc1cc(C)cc(N)c1.
What is the InChIKey of 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline?
The InChIKey is GUDYAGPNZGGFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-6-10(4-3-5-13-2)8-11(12)7-9/h3-4,6-8,13H,5,12H2,1-2H3.
What are the key properties of 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline?
3-methyl-5-[3-(methylamino)prop-1-enyl]aniline has a molecular weight of 176.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(methylamino)prop-1-enyl]aniline is sourced from PubChem (CID 169473325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).